Molecule

ID:121138

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c14-12(15)11-7-6-10(13-11)8-9-4-2-1-3-5-9/h1-7,13H,8H2,(H,14,15)
InChIKey
ZBSCFAWMXYYNNB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc([nH]1)Cc1ccccc1
Isomeric Smiles
c1([nH]c(cc1)Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6351306
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.62514514
LogD (pH = 7.4)
-0.8438534
Log P
2.4866016
Molar Refractivity
57.7192
Polarizability
21.72042
Polar Surface Area
53.09
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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