Molecule

ID:32918

General Information
Structure
MolImage
Molecular Formula
C₆H₃Cl₂NO₂
Molecular Mass
191.99952
Exact Mass
190.9540837
Charge
0
InChI
InChI=1S/C6H3Cl2NO2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H,10,11)
InChIKey
GFOVTTQVBDEYPP-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(=O)O)Cl
Isomeric Smiles
c1(C(=O)O)c(cnc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
3.4618762
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.1868726
LogD (pH = 7.4)
-1.5450019
Log P
1.8414228
Molar Refractivity
41.8282
Polarizability
15.809859
Polar Surface Area
50.19
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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