Molecule

ID:31141

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey
QMSCXKCJGFIXDF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c([nH]1)cccc2C
Isomeric Smiles
c1([nH]c2c(c1)c(ccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6178672
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.2848944
LogD (pH = 7.4)
-1.1737067
Log P
2.1630132
Molar Refractivity
49.3194
Polarizability
19.629595
Polar Surface Area
53.09
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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