Molecule
ID:74258
General Information
Molecular Formula
C₆Cl₄N₂
Molecular Mass
241.8896
Exact Mass
239.88155873
Charge
0
InChI
InChI=1S/C6Cl4N2/c7-3-2(1-11)4(8)6(10)12-5(3)9
InChIKey
WQGYOIRZZWUJJU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)c(Cl)nc(c1Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1Cl)Cl)C#N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4682026
LogD (pH = 7.4)
3.4682026
Log P
3.4682026
Molar Refractivity
50.9645
Polarizability
19.27881
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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