Molecule

ID:82126

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂
Molecular Mass
135.1201
Exact Mass
135.03202841
Charge
0
InChI
InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H
InChIKey
PMWXGSWIOOVHEQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(n1)C=O
Isomeric Smiles
n1c(cccc1C=O)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.529527
LogD (pH = 7.4)
1.5296626
Log P
1.5296643
Molar Refractivity
36.2987
Polarizability
13.254121
Polar Surface Area
47.03
Rotatable Bonds
2
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
References
Bioactivity
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