Molecule

ID:54627

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂
Molecular Mass
189.04194
Exact Mass
187.99080356
Charge
0
InChI
InChI=1S/C7H6Cl2N2/c8-6-4-2-1-3-5(4)10-7(9)11-6/h1-3H2
InChIKey
GDHHAOFBLGZCMI-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)CCC2
Isomeric Smiles
n1c(c2c(nc1Cl)CCC2)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.664109
LogD (pH = 7.4)
2.6641092
Log P
2.6641092
Molar Refractivity
46.5444
Polarizability
17.19824
Polar Surface Area
25.78
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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