Molecule

ID:80245

General Information
Structure
Molecular Formula
C₆Cl₄N₂
Molecular Mass
241.8896
Exact Mass
239.88155873
Charge
0
InChI
InChI=1S/C6Cl4N2/c7-3-2(1-11)12-6(10)5(9)4(3)8
InChIKey
KFPBGJYBKSQIAI-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1C#N)Cl)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6338758
LogD (pH = 7.4)
3.6338758
Log P
3.6338758
Molar Refractivity
49.5312
Polarizability
19.24391
Polar Surface Area
36.68
Rotatable Bonds
0
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
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References
Bioactivity
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