Molecule

ID:53688

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey
QLDQYRDCPNBPII-UHFFFAOYSA-N
Canonic Smiles
Oc1noc2c1cccc2
Isomeric Smiles
o1nc(c2c1cccc2)O
Calculated Properties
JChem
Acid pKa
5.856792
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4913602
LogD (pH = 7.4)
0.23278092
Log P
1.6475613
Molar Refractivity
36.1221
Polarizability
14.437605
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
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Molecule Details
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References
Bioactivity
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