Molecule

ID:44945

General Information
Structure
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c9-5-3-7-6(8-4-5)1-2-10-7/h1-4,9H
InChIKey
OLHWCNQIOPVTNP-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc2c(c1)occ2
Isomeric Smiles
c1(cnc2c(c1)occ2)O
Calculated Properties
JChem
Acid pKa
8.958
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.99462336
LogD (pH = 7.4)
0.98532933
Log P
0.9969818
Molar Refractivity
34.3511
Polarizability
14.418014
Polar Surface Area
46.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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