Molecule

ID:11136

General Information
Structure
Molecular Formula
C₁₁H₉NO₂
Molecular Mass
187.19466
Exact Mass
187.06332853
Charge
0
InChI
InChI=1S/C11H9NO2/c13-11(14)10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,12H,(H,13,14)
InChIKey
YEQVNAGNEONSTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc([nH]1)c1ccccc1
Isomeric Smiles
[nH]1c(ccc1c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6178696
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.31982398
LogD (pH = 7.4)
-1.1387779
Log P
2.1979403
Molar Refractivity
52.9642
Polarizability
21.314882
Polar Surface Area
53.09
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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