Molecule

ID:90840

General Information
Structure
MolImage
Molecular Formula
C₈Cl₆N₂
Molecular Mass
336.817
Exact Mass
333.81926409
Charge
0
InChI
InChI=1S/C8Cl6N2/c9-1-2(10)4(12)6-5(3(1)11)15-7(13)8(14)16-6
InChIKey
ATEQFBLOHPRUHO-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2c(nc1Cl)c(Cl)c(c(c2Cl)Cl)Cl
Isomeric Smiles
n1c(c(nc2c(c(c(c(c12)Cl)Cl)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.363701
LogD (pH = 7.4)
5.363701
Log P
5.363701
Molar Refractivity
68.4018
Polarizability
27.877438
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
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References
Bioactivity
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