Molecule

ID:101368

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO₂
Molecular Mass
123.1094
Exact Mass
123.03202841
Charge
0
InChI
InChI=1S/C6H5NO2/c1-5-2-3-9-6(5)7-4-8/h2-3H,1H3
InChIKey
OMYDOMPNLAYEPL-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1occc1C
Isomeric Smiles
c1(N=C=O)c(cco1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6257594
LogD (pH = 7.4)
1.6257594
Log P
1.6257594
Molar Refractivity
31.9379
Polarizability
11.340379
Polar Surface Area
42.57
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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