Molecule

ID:57158

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₃
Molecular Mass
211.60184
Exact Mass
211.00362074
Charge
0
InChI
InChI=1S/C9H6ClNO3/c10-9(12)6-3-7-1-4-8(5-2-7)11(13)14/h1-6H/b6-3+
InChIKey
RUPXNPWALFDXJD-ZZXKWVIFSA-N
Canonic Smiles
ClC(=O)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)[N+](=O)[O-])/C=C/C(=O)Cl
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
19.552206
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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