Molecule

ID:92019

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO₂
Molecular Mass
123.1094
Exact Mass
123.03202841
Charge
0
InChI
InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
InChIKey
JSTCPNFNKICNNO-UHFFFAOYSA-N
Canonic Smiles
O=Nc1ccc(cc1)O
Isomeric Smiles
Oc1ccc(cc1)N=O
Calculated Properties
JChem
Acid pKa
8.358985
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7467452
LogD (pH = 7.4)
1.7024274
Log P
1.7473886
Molar Refractivity
33.6123
Polarizability
11.962914
Polar Surface Area
49.66
Rotatable Bonds
1
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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