Molecule

ID:16591

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-9-4-5-10(12(14)15)8-11(9)13-6-2-3-7-13/h2-8H,1H3,(H,14,15)
InChIKey
OFNPBYYSTKWMRV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1n1cccc1)C(=O)O
Isomeric Smiles
c1(n2cccc2)cc(ccc1C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.174042
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7624865
LogD (pH = 7.4)
0.054819148
Log P
3.1057687
Molar Refractivity
68.1078
Polarizability
22.39632
Polar Surface Area
42.23
Rotatable Bonds
2
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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