Molecule

ID:69826

General Information
Structure
MolImage
Molecular Formula
C₈Cl₄N₂
Molecular Mass
265.911
Exact Mass
263.88155873
Charge
0
InChI
InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11
InChIKey
OQHXZZGZASQSOB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl
Isomeric Smiles
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)C#N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.101617
LogD (pH = 7.4)
4.101617
Log P
4.101617
Molar Refractivity
56.7204
Polarizability
21.849028
Polar Surface Area
47.58
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
References
Bioactivity
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