Molecule

ID:57159

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₃
Molecular Mass
211.60184
Exact Mass
211.00362074
Charge
0
InChI
InChI=1S/C9H6ClNO3/c10-9(12)5-4-7-2-1-3-8(6-7)11(13)14/h1-6H/b5-4+
InChIKey
ORIBWNWUGUWUKV-SNAWJCMRSA-N
Canonic Smiles
ClC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1ccc(cc1/C=C/C(=O)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6094
LogD (pH = 7.4)
2.6094
Log P
2.6094
Molar Refractivity
54.2431
Polarizability
19.552177
Polar Surface Area
62.89
Rotatable Bonds
3
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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