Chembase list of 866358 unique molecular structures

1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide

$$$$ Data

M. F.

C13H12BrNO

Suppliers	Catalog Number
Alfa Aesar	B22437
Apollo Scientific	OR29577

Database	Data ID
PubChem	2798954

M. W.

278.14448

CAS

16883-69-5

Similarity

N/A

ID: 86452

3-bromo-N'-(2-{2-phenyl-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-yl}acetyl)propanehy...

$$$$ Data

M. F.

C15H14BrN5O2S

Suppliers	Catalog Number
Apollo Scientific	OR29578

Database	Data ID
PubChem	2798955

M. W.

408.27296

CAS

Similarity

N/A

ID: 86453

{amino[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methylidene}amino ethyl o...

$$$$ Data

M. F.

C15H13Cl2N3O5

Suppliers	Catalog Number
Apollo Scientific	OR29579

Database	Data ID
PubChem	9583031

M. W.

386.18682

CAS

Similarity

N/A

ID: 86454

6-chlorohept-6-enenitrile

$$$$ Data

M. F.

C7H10ClN

Suppliers	Catalog Number
Apollo Scientific	OR2958

Database	Data ID
PubChem	10419302

M. W.

143.614

CAS

Similarity

N/A

ID: 86455

3,5-dibromo-4-[(2-chlorophenyl)methoxy]benzaldehyde

$$$$ Data

M. F.

C14H9Br2ClO2

Suppliers	Catalog Number
Apollo Scientific	OR29580

Database	Data ID
PubChem	1494334

M. W.

404.48106

CAS

Similarity

N/A

ID: 86456

4-(propan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-3-ol

$$$$ Data

M. F.

C5H9N3OS

Suppliers	Catalog Number
Apollo Scientific	OR29581

Database	Data ID
PubChem	2743305

M. W.

159.20946

CAS

53065-47-7

Similarity

N/A

ID: 86457

4-(4-chlorophenyl)-5-[(cyanomethyl)sulfanyl]-4H-1,2,4-triazol-3-yl ethyl ethoxy(...

$$$$ Data

M. F.

C14H16ClN4O3PS2

Suppliers	Catalog Number
Apollo Scientific	OR29582

Database	Data ID
PubChem	2798964

M. W.

418.858601

CAS

Similarity

N/A

ID: 86458

4-(1,3-dithiolan-2-yl)phenol

$$$$ Data

M. F.

C9H10OS2

Suppliers	Catalog Number
Alfa Aesar	A17066
Apollo Scientific	OR29583

Database	Data ID
PubChem	97562

M. W.

198.3051

CAS

22068-49-1

Similarity

N/A

ID: 86459

[1-amino-2-(4-tert-butylphenoxy)ethylidene]amino 2-chloroacetate

$$$$ Data

M. F.

C14H19ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR29584

Database	Data ID
PubChem	9583040

M. W.

298.76526

CAS

Similarity

N/A

ID: 86460

methyl 3-(methylamino)but-2-enoate

$$$$ Data More

M. F.

C6H11NO2

Suppliers	Catalog Number
MP Biomedicals	05205860
Maybridge	SPB00896
Apollo Scientific	OR29585

Database	Data ID
PubChem	5846045

M. W.

129.15704

CAS

13412-12-9

Similarity

N/A

ID: 86461

methyl 2-(2,6-dichloropyridine-4-carbonyl)-3-(methylamino)but-2-enoate

$$$$ Data

M. F.

C12H12Cl2N2O3

Suppliers	Catalog Number
Apollo Scientific	OR29586

Database	Data ID
PubChem	2798974

M. W.

303.14128

CAS

82140-55-4

Similarity

N/A

ID: 86462

ethyl 2,4-dioxo-6-phenylhex-5-enoate

$$$$ Data

M. F.

C14H14O4

Suppliers	Catalog Number
Apollo Scientific	OR29587

Database	Data ID
PubChem	5374346

M. W.

246.25856

CAS

Similarity

N/A

ID: 86463

4-bromo-2-(1,3-dithiolan-2-yl)phenol

$$$$ Data

M. F.

C9H9BrOS2

Suppliers	Catalog Number
Apollo Scientific	OR29588

Database	Data ID
PubChem	4414513

M. W.

277.20116

CAS

175276-78-5

Similarity

N/A

ID: 86464

2-(1,3-dithiolan-2-yl)-4-nitrophenol

$$$$ Data

M. F.

C9H9NO3S2

Suppliers	Catalog Number
Apollo Scientific	OR29589

Database	Data ID
PubChem	2798979

M. W.

243.30266

CAS

Similarity

N/A

ID: 86465

7-chlorooct-7-enenitrile

$$$$ Data

M. F.

C8H12ClN

Suppliers	Catalog Number
Apollo Scientific	OR2959

Database	Data ID
PubChem	24721695

M. W.

157.64058

CAS

Similarity

N/A

ID: 86466

[amino({4-[4-(1,3-dithiolan-2-yl)phenoxy]-3-nitrophenyl})methylidene]amino 2-chl...

$$$$ Data

M. F.

C18H16ClN3O5S2

Suppliers	Catalog Number
Apollo Scientific	OR29590

Database	Data ID
PubChem	9583049

M. W.

453.91974

CAS

Similarity

N/A

ID: 86467

1-(1,3-dithiolan-2-yl)naphthalen-2-ol

$$$$ Data

M. F.

C13H12OS2

Suppliers	Catalog Number
Apollo Scientific	OR29591

Database	Data ID
PubChem	2798987

M. W.

248.36378

CAS

Similarity

N/A

ID: 86468

4-(chloromethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

$$$$ Data

M. F.

C12H11ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR29592

Database	Data ID
PubChem	2798989

M. W.

250.68094

CAS

Similarity

N/A

ID: 86469

diethyl [({4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl}methyl)sulfanyl](sulfan...

$$$$ Data

M. F.

C16H21N2O4PS2

Suppliers	Catalog Number
Apollo Scientific	OR29593

Database	Data ID
PubChem	2798992

M. W.

400.452701

CAS

Similarity

N/A

ID: 86470

1-(4-chloro-3-nitrophenyl)-2-{[5-(4-pentylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl...

$$$$ Data

M. F.

C21H21ClN4O3S

Suppliers	Catalog Number
Apollo Scientific	OR29594

Database	Data ID
PubChem	2798999

M. W.

444.93444

CAS

Similarity

N/A

ID: 86471

3-hydroxy-2-phenylprop-2-enenitrile

$$$$ Data

M. F.

C9H7NO

Suppliers	Catalog Number
Apollo Scientific	OR29595

Database	Data ID
PubChem	22796321

M. W.

145.15798

CAS

5841-70-3

Similarity

N/A

ID: 86472

2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chloro-3-nitrophenyl)ethan-1-on...

$$$$ Data

M. F.

C10H8ClN5O3S

Suppliers	Catalog Number
Apollo Scientific	OR29597

Database	Data ID
PubChem	2799003

M. W.

313.72022

CAS

Similarity

N/A

ID: 86473

{amino[3-(1H-pyrrol-1-yl)phenyl]methylidene}amino 2-chloroacetate

$$$$ Data

M. F.

C13H12ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR29598

Database	Data ID
PubChem	9583050

M. W.

277.70628

CAS

Similarity

N/A

ID: 86474

3-(1H-pyrrol-1-yl)benzene-1-carbothioamide

$$$$ Data

M. F.

C11H10N2S

Suppliers	Catalog Number
Maybridge	SPB01074
Apollo Scientific	OR29599

Database	Data ID
PubChem	2799009

M. W.

202.2755

CAS

175276-79-6

Similarity

N/A

ID: 86475

8-chloronon-8-enenitrile

$$$$ Data

M. F.

C9H14ClN

Suppliers	Catalog Number
Apollo Scientific	OR2960

Database	Data ID
PubChem	24721696

M. W.

171.66716

CAS

Similarity

N/A

ID: 86476

4-(4-chloro-3-nitrophenyl)-2-[3-(1H-pyrrol-1-yl)phenyl]-1,3-thiazole

$$$$ Data

M. F.

C19H12ClN3O2S

Suppliers	Catalog Number
Apollo Scientific	OR29600

Database	Data ID
PubChem	2799012

M. W.

381.83548

CAS

Similarity

N/A

ID: 86477

{amino[4-(3,5-dichlorophenoxy)-3-nitrophenyl]methylidene}amino 2-chloroacetate

$$$$ Data

M. F.

C15H10Cl3N3O5

Suppliers	Catalog Number
Apollo Scientific	OR29601

Database	Data ID
PubChem	9583053

M. W.

418.616

CAS

Similarity

N/A

ID: 86478

3-cyano-4-(methylsulfanyl)-6-(thiophen-2-yl)pyridin-2-yl methyl methoxy(sulfanyl...

$$$$ Data

M. F.

C13H13N2O3PS3

Suppliers	Catalog Number
Apollo Scientific	OR29602

Database	Data ID
PubChem	2799019

M. W.

372.422681

CAS

Similarity

N/A

ID: 86479

3-cyano-4-(methylsulfanyl)-6-(thiophen-2-yl)pyridin-2-yl ethyl ethoxy(sulfanylid...

$$$$ Data

M. F.

C15H17N2O3PS3

Suppliers	Catalog Number
Apollo Scientific	OR29603

Database	Data ID
PubChem	2799021

M. W.

400.475841

CAS

Similarity

N/A

ID: 86480

[amino(2,3-dichlorophenyl)methylidene]amino 2-chloroacetate

$$$$ Data

M. F.

C9H7Cl3N2O2

Suppliers	Catalog Number
Apollo Scientific	OR29604

Database	Data ID
PubChem	9583054

M. W.

281.52308

CAS

Similarity

N/A

ID: 86481

2-(2,6-dichlorophenyl)ethanethioamide

$$$$ Data

M. F.

C8H7Cl2NS

Suppliers	Catalog Number
Alfa Aesar	H26746
Apollo Scientific	OR29606

Database	Data ID
PubChem	2743466

M. W.

220.11888

CAS

17518-49-9

Similarity

N/A

ID: 86482

4-(chloromethyl)-2-[(2,6-dichlorophenyl)methyl]-1,3-thiazole

$$$$ Data

M. F.

C11H8Cl3NS

Suppliers	Catalog Number
Apollo Scientific	OR29607

Database	Data ID
PubChem	44119085

M. W.

292.61192

CAS

Similarity

N/A

ID: 86483

5-(4-tert-butylphenyl)-2H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C11H14N4

Suppliers	Catalog Number
Maybridge	SPB01120
Apollo Scientific	OR29608

Database	Data ID
PubChem	2799035

M. W.

202.25566

CAS

126393-38-2

Similarity

N/A

ID: 86484

phenyl 3-(chloromethyl)benzoate

$$$$ Data

M. F.

C14H11ClO2

Suppliers	Catalog Number
Apollo Scientific	OR29609

Database	Data ID
PubChem	2799038

M. W.

246.68894

CAS

Similarity

N/A

ID: 86485

9-chlorodec-9-enenitrile

$$$$ Data

M. F.

C10H16ClN

Suppliers	Catalog Number
Apollo Scientific	OR2961

Database	Data ID
PubChem	24721697

M. W.

185.69374

CAS

Similarity

N/A

ID: 86486

2,6-di-tert-butyl-4-(1,3-dithiolan-2-yl)phenol

$$$$ Data

M. F.

C17H26OS2

Suppliers	Catalog Number
Apollo Scientific	OR29610

Database	Data ID
PubChem	2799043

M. W.

310.51774

CAS

Similarity

N/A

ID: 86487

2,6-dibromo-4-(1,3-dithiolan-2-yl)phenol

$$$$ Data

M. F.

C9H8Br2OS2

Suppliers	Catalog Number
Apollo Scientific	OR29611

Database	Data ID
PubChem	2743493

M. W.

356.09722

CAS

Similarity

N/A

ID: 86488

2,6-dichloro-N'-(2-chloro-6-methylphenyl)pyridine-4-carbohydrazide

$$$$ Data

M. F.

C13H10Cl3N3O

Suppliers	Catalog Number
Apollo Scientific	OR29614

Database	Data ID
PubChem	2799056

M. W.

330.597

CAS

Similarity

N/A

ID: 86489

2-(3,5-dichlorophenoxy)acetonitrile

$$$$ Data

M. F.

C8H5Cl2NO

Suppliers	Catalog Number
Alfa Aesar	L10490
Apollo Scientific	OR29617

Database	Data ID
PubChem	517810

M. W.

202.0374

CAS

103140-12-1

Similarity

N/A

ID: 86490

2-(2-chlorophenoxy)acetonitrile

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Alfa Aesar	A11346
Apollo Scientific	OR29618

Database	Data ID
PubChem	521134

M. W.

167.59234

CAS

43111-31-5

Similarity

N/A

ID: 86491

2-(3-chlorophenoxy)acetonitrile

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Alfa Aesar	A15730
Apollo Scientific	OR29619

Database	Data ID
PubChem	142655

M. W.

167.59234

CAS

43111-32-6

Similarity

N/A

ID: 86492

5-bromohex-5-enenitrile

$$$$ Data

M. F.

C6H8BrN

Suppliers	Catalog Number
Apollo Scientific	OR2962

Database	Data ID
PubChem	10877626

M. W.

174.03842

CAS

Similarity

N/A

ID: 86493

2-(4-methoxyphenoxy)acetonitrile

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Alfa Aesar	A10398
Apollo Scientific	OR29620
Enamine	EN300-52056

Database	Data ID
PubChem	579491

M. W.

163.17326

CAS

22446-12-4

Similarity

N/A

ID: 86494

2-(2-chlorophenoxy)ethanethioamide

$$$$ Data

M. F.

C8H8ClNOS

Suppliers	Catalog Number
Apollo Scientific	OR29621

Database	Data ID
PubChem	2743552

M. W.

201.67322

CAS

35370-94-6

Similarity

N/A

ID: 86495

2-(3-chlorophenoxy)ethanethioamide

$$$$ Data

M. F.

C8H8ClNOS

Suppliers	Catalog Number
Maybridge	SPB01327
Apollo Scientific	OR29622

Database	Data ID
PubChem	2743553

M. W.

201.67322

CAS

35370-95-7

Similarity

N/A

ID: 86496

2-(4-methoxyphenoxy)ethanethioamide

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Alfa Aesar	H26488
Apollo Scientific	OR29623
Enamine	EN300-53203

Database	Data ID
PubChem	2743555

M. W.

197.25414

CAS

35370-92-4

Similarity

N/A

ID: 86497

[({[2-(4-chlorophenoxymethyl)-1,3-thiazol-4-yl]methyl}sulfanyl)(ethoxy)phosphory...

$$$$ Data

M. F.

C16H22ClN2O3PS2

Suppliers	Catalog Number
Apollo Scientific	OR29624

Database	Data ID
PubChem	2799098

M. W.

420.914241

CAS

Similarity

N/A

ID: 86498

2,6-dichloro-N-(2,2-dimethoxyethyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C10H12Cl2N2O3

Suppliers	Catalog Number
Apollo Scientific	OR29625

Database	Data ID
PubChem	2799106

M. W.

279.11988

CAS

Similarity

N/A

ID: 86499

N-[(methylcarbamothioyl)amino]formamide

$$$$ Data

M. F.

C3H7N3OS

Suppliers	Catalog Number
Apollo Scientific	OR29627

Database	Data ID
PubChem	2799113

M. W.

133.17218

CAS

Similarity

N/A

ID: 86500

6-methyl-3-sulfanyl-1,2,4-triazin-5-ol

$$$$ Data

M. F.

C4H5N3OS

Suppliers	Catalog Number
Apollo Scientific	OR29628
Enamine	EN300-12463

Database	Data ID
PubChem	1263666

M. W.

143.167

CAS

615-76-9

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified