Molecule

ID:64927

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey
FYNCIYHECMWXPK-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]ccc2c1cco2
Isomeric Smiles
[nH]1ccc2occc2c1=O
Calculated Properties
JChem
Acid pKa
12.06236
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.38447627
LogD (pH = 7.4)
0.384468
Log P
0.38447636
Molar Refractivity
35.8267
Polarizability
12.86102
Polar Surface Area
42.24
Rotatable Bonds
0
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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