Molecule

ID:70385

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO₂
Molecular Mass
191.99952
Exact Mass
190.9540837
Charge
0
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey
QUIMTLZDMCNYGY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)[N+](=O)[O-]
Isomeric Smiles
c1(c(cc(cc1)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1213193
LogD (pH = 7.4)
3.1213193
Log P
3.1213193
Molar Refractivity
41.9881
Polarizability
16.142736
Polar Surface Area
43.14
Rotatable Bonds
1
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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