Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C7H5N

Suppliers	Catalog Number
Sigma Aldrich	520446
Alfa Aesar	H53465
Bide Pharmatech	BD86718

Database	Data ID
PubChem	186003

M. W.

103.1213

CAS

2510-23-8

Similarity

N/A

ID: 145002

bromo(phenyl)zinc

$$$$ Data

M. F.

C6H5BrZn

Suppliers	Catalog Number
Sigma Aldrich	524719
Alfa Aesar	H58659

Database	Data ID
PubChem	11138729

M. W.

222.3879

CAS

38111-44-3

Similarity

N/A

ID: 145003

methyl 2-(1-methyl-1H-indol-3-yl)-2-oxoacetate

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Sigma Aldrich	525898

Database	Data ID
PubChem	4453675

M. W.

217.22064

CAS

151490-40-3

Similarity

N/A

ID: 145004

ethyl (2E)-dec-2-enoate

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
Sigma Aldrich	W364118 536946
Alfa Aesar	A18718

Database	Data ID
PubChem	5463904

M. W.

198.30188

CAS

7367-88-6

Similarity

N/A

ID: 145005

1,2,4-tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

$$$$ Data

M. F.

C33H54O6

Suppliers	Catalog Number
Sigma Aldrich	538159 538140 92124

Database	Data ID
PubChem	18725

M. W.

546.77826

CAS

3319-31-1

Similarity

N/A

ID: 145006

dodeca-3,9-diyne

$$$$ Data

M. F.

C12H18

Suppliers	Catalog Number
Sigma Aldrich	550477
Alfa Aesar	L09863

Database	Data ID
PubChem	143841

M. W.

162.27132

CAS

61827-89-2

Similarity

N/A

ID: 145007

(2S)-2-amino-1,1,3-triphenylpropan-1-ol

$$$$ Data

M. F.

C21H21NO

Suppliers	Catalog Number
Sigma Aldrich	554464

Database	Data ID
PubChem	7023048

M. W.

303.39754

CAS

79868-78-3

Similarity

N/A

ID: 145008

2-methyl-N-(propan-2-yl)prop-2-enamide

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Sigma Aldrich	423548

Database	Data ID
PubChem	83698

M. W.

127.18422

CAS

13749-61-6

Similarity

N/A

ID: 145009

2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate

$$$$ Data

M. F.

C9H14N2O3

Suppliers	Catalog Number
Sigma Aldrich	424986

Database	Data ID
PubChem	643493

M. W.

198.21906

CAS

86261-90-7

Similarity

N/A

ID: 145010

[2-({diphenyl[(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)oxy]-λ⁴-su...

$$$$ Data

M. F.

C30H20F12O2S

Suppliers	Catalog Number
Sigma Aldrich	428841

Database	Data ID
PubChem	3608068

M. W.

672.5244384

CAS

32133-82-7

Similarity

N/A

ID: 145011

diiodomanganese

$$$$ Data

M. F.

I2Mn

Suppliers	Catalog Number
Sigma Aldrich	551619 439738

Database	Data ID
PubChem	3255931

M. W.

308.746989

CAS

7790-33-2

Similarity

N/A

ID: 145012

methyl (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate

$$$$ Data

M. F.

C8H14O5

Suppliers	Catalog Number
Sigma Aldrich	392170

Database	Data ID
PubChem	10375250

M. W.

190.19376

CAS

92973-40-5

Similarity

N/A

ID: 145013

1,2,4,5,6,7-hexabora-3-strontatetracyclo[3.2.0.0²,⁷.0^...

$$$$ Data

M. F.

B6Sr

Suppliers	Catalog Number
Sigma Aldrich	394777

Database	Data ID
PubChem	16212527

M. W.

152.486

CAS

12046-54-7

Similarity

N/A

ID: 145014

(3R)-oct-1-yn-3-ol

$$$$ Data

M. F.

C8H14O

Suppliers	Catalog Number
Sigma Aldrich	399701
Alfa Aesar	L19045

Database	Data ID
PubChem	6999692

M. W.

126.19616

CAS

32556-70-0

Similarity

N/A

ID: 145015

octasodium 3-{[2-(3-{[2-({2-[bis(2-carboxylatoethyl)amino]ethyl}carbamoyl)ethyl]...

$$$$ Data

M. F.

C46H72N10Na8O20

Suppliers	Catalog Number
Sigma Aldrich	412376

Database	Data ID
PubChem	71311137

M. W.

1269.03704

CAS

Similarity

N/A

ID: 145016

calcium trihydrate bis(naphthalen-1-yl hydrogen phosphate)

$$$$ Data

M. F.

C20H22CaO11P2

Suppliers	Catalog Number
Sigma Aldrich	261637

Database	Data ID
PubChem	16211745

M. W.

540.407602

CAS

57775-19-6

Similarity

N/A

ID: 145017

trimethyl[(phenylsulfanyl)methyl]silane

$$$$ Data

M. F.

C10H16SSi

Suppliers	Catalog Number
Sigma Aldrich	268585

Database	Data ID
PubChem	140295

M. W.

196.38454

CAS

17873-08-4

Similarity

N/A

ID: 145018

nitrocyclopentane

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Sigma Aldrich	269719
Alfa Aesar	L08029

Database	Data ID
PubChem	75714

M. W.

115.13046

CAS

2562-38-1

Similarity

N/A

ID: 145019

1-butylpyrrolidine

$$$$ Data

M. F.

C8H17N

Suppliers	Catalog Number
Sigma Aldrich	280372

Database	Data ID
PubChem	69843

M. W.

127.22728

CAS

767-10-2

Similarity

N/A

ID: 145020

N,N-dicyclohexyl-1-[(1R,2S,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl]m...

$$$$ Data

M. F.

C22H39NO3S

Suppliers	Catalog Number
Sigma Aldrich	297658

Database	Data ID
PubChem	11133074

M. W.

397.61496

CAS

99295-72-4

Similarity

N/A

ID: 145021

1,3-bis(benzyloxy)-2-methylbenzene

$$$$ Data

M. F.

C21H20O2

Suppliers	Catalog Number
Sigma Aldrich	298808

Database	Data ID
PubChem	3620079

M. W.

304.3823

CAS

124317-11-9

Similarity

N/A

ID: 145022

1-benzyl 3-methyl propanedioate

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Sigma Aldrich	305537
Bide Pharmatech	BD116177

Database	Data ID
PubChem	572135

M. W.

208.21058

CAS

52267-39-7

Similarity

N/A

ID: 145023

2-amino-7,9-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile

$$$$ Data

M. F.

C15H11N3O2

Suppliers	Catalog Number
Sigma Aldrich	402443

Database	Data ID
PubChem	703042

M. W.

265.26674

CAS

206658-82-4

Similarity

N/A

ID: 145024

2-hydroxy-3-phenoxypropyl prop-2-enoate

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Sigma Aldrich	407364

Database	Data ID
PubChem	4443516

M. W.

222.23716

CAS

16969-10-1

Similarity

N/A

ID: 145025

(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-imidazol-4-yl)propanoic acid

$$$$ Data

M. F.

C14H15N3O4

Suppliers	Catalog Number
Sigma Aldrich	408549
Chemik	CHO0140
A&J Pharmtech	AJA-O11438

Database	Data ID
PubChem	736313

M. W.

289.2866

CAS

14997-58-1

Similarity

N/A

ID: 145026

dibenzyl {[bis(benzyloxy)phosphoryl]oxy}phosphonate

$$$$ Data More

M. F.

C28H28O7P2

Suppliers	Catalog Number
Sigma Aldrich	418633 86740
Alfa Aesar	L09083
TRC	T289450

Database	Data ID
PubChem	563183

M. W.

538.465242

CAS

990-91-0

Similarity

N/A

ID: 145027

[(tert-butylimino)methylidene](ethyl)amine

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Sigma Aldrich	426393

Database	Data ID
PubChem	4594009

M. W.

126.19946

CAS

1433-27-8

Similarity

N/A

ID: 145028

(3aS,4R,5S,6aR)-5-hydroxy-4-(hydroxymethyl)-hexahydro-2H-cyclopenta[b]furan-2-on...

$$$$ Data

M. F.

C8H12O4

Suppliers	Catalog Number
Sigma Aldrich	453218

Database	Data ID
PubChem	11084331

M. W.

172.17848

CAS

76704-05-7

Similarity

N/A

ID: 145029

2-benzoylcyclohexan-1-one

$$$$ Data

M. F.

C13H14O2

Suppliers	Catalog Number
Sigma Aldrich	461229
Bide Pharmatech	BD71136

Database	Data ID
PubChem	275627

M. W.

202.24906

CAS

3580-38-9

Similarity

N/A

ID: 145030

2-ethyl-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C11H12O

Suppliers	Catalog Number
Sigma Aldrich	462713

Database	Data ID
PubChem	5070076

M. W.

160.21238

CAS

22351-56-0

Similarity

N/A

ID: 145031

chlorodimethyl(2-phenylethyl)silane

$$$$ Data

M. F.

C10H15ClSi

Suppliers	Catalog Number
Sigma Aldrich	467138

Database	Data ID
PubChem	86970

M. W.

198.7646

CAS

17146-08-6

Similarity

N/A

ID: 145032

1,1,2-tribromoethane

$$$$ Data

M. F.

C2H3Br3

Suppliers	Catalog Number
Sigma Aldrich	476498

Database	Data ID
PubChem	66222

M. W.

266.75722

CAS

78-74-0

Similarity

N/A

ID: 145033

ethenyltriethylsilane

$$$$ Data

M. F.

C8H18Si

Suppliers	Catalog Number
Sigma Aldrich	348112
Alfa Aesar	L12461

Database	Data ID
PubChem	559195

M. W.

142.31402

CAS

1112-54-5

Similarity

N/A

ID: 145034

1,2,3-triargentio 2-hydroxypropane-1,2,3-tricarboxylate hydrate

$$$$ Data

M. F.

C6H7Ag3O8

Suppliers	Catalog Number
Sigma Aldrich	361259

Database	Data ID
PubChem	16212313

M. W.

530.71958

CAS

206986-90-5

Similarity

N/A

ID: 145035

1-iodo(1,2-¹³C₂)ethane

$$$$ Data

M. F.

C2H5I

Suppliers	Catalog Number
Sigma Aldrich	376531

Database	Data ID
PubChem	10855737

M. W.

157.95087968

CAS

34189-74-7

Similarity

N/A

ID: 145036

(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl (2S)-1-[(1R)-1-phenylethyl]aziridi...

$$$$ Data

M. F.

C21H31NO2

Suppliers	Catalog Number
Sigma Aldrich	570516

Database	Data ID
PubChem	9429714

M. W.

329.47634

CAS

397849-97-7

Similarity

N/A

ID: 145037

(2R,3R,4S,5R,6R)-3,4,5-tris(benzyloxy)-2-[(benzyloxy)methyl]-6-(propan-2-yloxy)o...

$$$$ Data

M. F.

C37H42O6

Suppliers	Catalog Number
Sigma Aldrich	570044

Database	Data ID
PubChem	10973922

M. W.

582.72578

CAS

114967-51-0

Similarity

N/A

ID: 145038

(5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Sigma Aldrich	569763
A&J Pharmtech	AJA-O11602

Database	Data ID
PubChem	9834882

M. W.

254.75576

CAS

278173-23-2

Similarity

N/A

ID: 145039

(2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid

$$$$ Data

M. F.

C8H7ClO3

Suppliers	Catalog Number
Sigma Aldrich	562823
TRC	C432670
Bide Pharmatech	BD11031

Database	Data ID
PubChem	6922874

M. W.

186.59238

CAS

52950-19-3

Similarity

N/A

ID: 145040

tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamate

$$$$ Data

M. F.

C11H23NO3

Suppliers	Catalog Number
Sigma Aldrich	561169
TRC	B656950

Database	Data ID
PubChem	10376058

M. W.

217.30522

CAS

153645-26-2

Similarity

N/A

ID: 145041

$$$$ Data

M. F.

C15H15O3

Suppliers	Catalog Number
Sigma Aldrich	560553 540730

Database	Data ID
PubChem	5001116

M. W.

243.2778

CAS

Similarity

N/A

ID: 145042

[3-fluoro-4-(propan-2-yloxy)phenyl]boronic acid

$$$$ Data

M. F.

C9H12BFO3

Suppliers	Catalog Number
Sigma Aldrich	564060
A&J Pharmtech	AJA-O30572

Database	Data ID
PubChem	16217198

M. W.

197.9991832

CAS

480438-54-8

Similarity

N/A

ID: 145043

(4-butoxy-3-fluorophenyl)boronic acid

$$$$ Data

M. F.

C10H14BFO3

Suppliers	Catalog Number
Sigma Aldrich	564079
A&J Pharmtech	AJA-O31349

Database	Data ID
PubChem	16217199

M. W.

212.0257632

CAS

156487-13-7

Similarity

N/A

ID: 145044

(4-butoxy-3-chlorophenyl)boronic acid

$$$$ Data

M. F.

C10H14BClO3

Suppliers	Catalog Number
Sigma Aldrich	564435
A&J Pharmtech	AJA-O32306

Database	Data ID
PubChem	5201211

M. W.

228.48036

CAS

480438-55-9

Similarity

N/A

ID: 145045

[3-chloro-4-(propan-2-yloxy)phenyl]boronic acid

$$$$ Data

M. F.

C9H12BClO3

Suppliers	Catalog Number
Sigma Aldrich	564443
A&J Pharmtech	AJA-O32307

Database	Data ID
PubChem	3382467

M. W.

214.45378

CAS

480438-56-0

Similarity

N/A

ID: 145046

bis(3,5-dihydroxy-4-methylbenzoic acid) hydrate

$$$$ Data

M. F.

C16H18O9

Suppliers	Catalog Number
Sigma Aldrich	318485

Database	Data ID
PubChem	69024896

M. W.

354.30872

CAS

199926-34-6

Similarity

N/A

ID: 145047

prop-2-yn-1-yl benzenesulfonate

$$$$ Data

M. F.

C9H8O3S

Suppliers	Catalog Number
Sigma Aldrich	325341
Bide Pharmatech	BD149205

Database	Data ID
PubChem	80273

M. W.

196.22302

CAS

6165-75-9

Similarity

N/A

ID: 145048

(2-methylphenyl)(phenyl)methanol

$$$$ Data More

M. F.

C14H14O

Suppliers	Catalog Number
Sigma Aldrich	189960
Alfa Aesar	B23021
TRC	M288920

Database	Data ID
PubChem	95659

M. W.

198.26036

CAS

7111-76-4

Similarity

N/A

ID: 145049

2-amino-3-(4-chlorophenyl)propan-1-ol

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Sigma Aldrich	191175
A&J Pharmtech	AJA-O1402

Database	Data ID
PubChem	548289

M. W.

185.65068

CAS

35373-63-8

Similarity

N/A

ID: 145050

4-tert-butyl-2-{[4-tert-butyl-1-(propan-2-yl)-1H-imidazol-2-yl]disulfanyl}-1-(pr...

$$$$ Data

M. F.

C20H34N4S2

Suppliers	Catalog Number
Sigma Aldrich	195987

Database	Data ID
PubChem	100618

M. W.

394.64076

CAS

61747-35-1

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