Molecule

ID:44001

General Information
Structure
MolImage
Molecular Formula
C₆H₂Cl₂N₂
Molecular Mass
172.99948
Exact Mass
171.95950343
Charge
0
InChI
InChI=1S/C6H2Cl2N2/c7-5-1-4(2-9)3-10-6(5)8/h1,3H
InChIKey
JBMLYEZUHCZNKT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnc(c(c1)Cl)Cl
Isomeric Smiles
c1c(cnc(c1Cl)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.039936
LogD (pH = 7.4)
2.039936
Log P
2.039936
Molar Refractivity
40.2936
Polarizability
15.201286
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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