Molecule

ID:35911

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO₂
Molecular Mass
123.1094
Exact Mass
123.03202841
Charge
0
InChI
InChI=1S/C6H5NO2/c8-5-7-4-6-2-1-3-9-6/h1-3H,4H2
InChIKey
UIADMYLYGJYUSQ-UHFFFAOYSA-N
Canonic Smiles
O=C=NCc1ccco1
Isomeric Smiles
C(=NCc1occc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.74210024
LogD (pH = 7.4)
0.74210024
Log P
0.74210024
Molar Refractivity
30.3417
Polarizability
11.426235
Polar Surface Area
42.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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