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3-(2-ethylphenoxy)-1-{spiro[2.3]hexane-1-carbonyl}azetidine

ChemBase ID: 510191
Molecular Formular: C18H23NO2
Molecular Mass: 285.38072
Monoisotopic Mass: 285.17287898
SMILES and InChIs

SMILES:
C1(C(=O)N2CC(C2)Oc2c(CC)cccc2)C2(C1)CCC2
Canonical SMILES:
CCc1ccccc1OC1CN(C1)C(=O)C1CC21CCC2
InChI:
InChI=1S/C18H23NO2/c1-2-13-6-3-4-7-16(13)21-14-11-19(12-14)17(20)15-10-18(15)8-5-9-18/h3-4,6-7,14-15H,2,5,8-12H2,1H3
InChIKey:
DZNNKVAMOUNPGL-UHFFFAOYSA-N

Cite this record

CBID:510191 http://www.chembase.cn/molecule-510191.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(2-ethylphenoxy)-1-{spiro[2.3]hexane-1-carbonyl}azetidine
IUPAC Traditional name
3-(2-ethylphenoxy)-1-{spiro[2.3]hexane-1-carbonyl}azetidine
Synonyms
3-(2-ethylphenoxy)-1-(spiro[2.3]hex-1-ylcarbonyl)azetidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 40487651 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.2550504  LogD (pH = 7.4) 3.255051 
Log P 3.255051  Molar Refractivity 81.3766 cm3
Polarizability 32.047573 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.32  LOG S -4.12 
Polar Surface Area 29.54 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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