Molecule

ID:112449

General Information
Structure
MolImage
Molecular Formula
C₁₃H₈ClNO₃
Molecular Mass
261.66052
Exact Mass
261.0192708
Charge
0
InChI
InChI=1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey
HRPHZUAPQWJPCZ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1C(=O)c1ccccc1)[N+](=O)[O-]
Isomeric Smiles
[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9766278
LogD (pH = 7.4)
3.9766278
Log P
3.9766278
Molar Refractivity
68.763
Polarizability
25.749262
Polar Surface Area
62.89
Rotatable Bonds
3
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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