Molecule

ID:70467

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂N₂
Molecular Mass
189.04194
Exact Mass
187.99080356
Charge
0
InChI
InChI=1S/C7H5ClN2.ClH/c8-6-2-1-3-7-9-4-5-10(6)7;/h1-5H;1H
InChIKey
HDGYDQGPMRUIQO-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2n1ccn2.Cl
Isomeric Smiles
c12cccc(n1ccn2)Cl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.32600468
LogD (pH = 7.4)
1.0365515
Log P
1.0786047
Molar Refractivity
40.7423
Polarizability
15.190534
Polar Surface Area
17.3
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
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Molecule Details
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References
Bioactivity
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