Molecule

ID:51430

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂
Molecular Mass
172.99948
Exact Mass
171.95950343
Charge
0
InChI
InChI=1S/C6H2Cl2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKey
AFSVHZPQZBOZDK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1nc(Cl)ccc1Cl
Isomeric Smiles
c1(c(ccc(n1)Cl)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4257865
LogD (pH = 7.4)
2.4257865
Log P
2.4257865
Molar Refractivity
39.9216
Polarizability
15.190478
Polar Surface Area
36.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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