Molecule

ID:57923

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c9-6-2-1-5-4-8-10-7(5)3-6/h1-4,9H
InChIKey
OBSZDVDXNVEDKQ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)onc2
Isomeric Smiles
n1oc2c(c1)ccc(c2)O
Calculated Properties
JChem
Acid pKa
8.9693365
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0529572
LogD (pH = 7.4)
1.0416317
Log P
1.0531038
Molar Refractivity
35.8086
Polarizability
14.429673
Polar Surface Area
46.26
Rotatable Bonds
0
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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