Molecule

ID:80940

General Information
Structure
Molecular Formula
C₉H₄Cl₄N₂
Molecular Mass
281.95346
Exact Mass
279.91285886
Charge
0
InChI
InChI=1S/C9H4Cl4N2/c10-7-5-3-1-2-4-6(5)14-8(15-7)9(11,12)13/h1-4H
InChIKey
KHWHZIOORKRESZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc2c1cccc2)C(Cl)(Cl)Cl
Isomeric Smiles
n1c(c2ccccc2nc1C(Cl)(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5086775
LogD (pH = 7.4)
4.508678
Log P
4.508678
Molar Refractivity
64.8056
Polarizability
25.427307
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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