Molecule

ID:30868

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-2-15-12-10(8-14)7-9-5-3-4-6-11(9)13-12/h3-8H,2H2,1H3
InChIKey
CESLWPRTYCZPSW-UHFFFAOYSA-N
Canonic Smiles
CCOc1nc2ccccc2cc1C=O
Isomeric Smiles
n1c(c(cc2c1cccc2)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6369674
LogD (pH = 7.4)
2.6369967
Log P
2.636997
Molar Refractivity
58.0886
Polarizability
23.217329
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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