Molecule

ID:81016

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)
InChIKey
GNWTWXOZRSBCOZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1n1cccc1
Isomeric Smiles
n1(c2ccccc2C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.6647277
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.75946915
LogD (pH = 7.4)
-0.7269939
Log P
2.5923474
Molar Refractivity
63.0666
Polarizability
20.6374
Polar Surface Area
42.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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