Molecule

ID:84841

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃
Molecular Mass
192.04588
Exact Mass
191.0017026
Charge
0
InChI
InChI=1S/C6H6ClN3.ClH/c7-5-6-9-2-4-10(6)3-1-8-5;/h1,3H,2,4H2;1H
InChIKey
OWBKOKLUXPZASR-UHFFFAOYSA-N
Canonic Smiles
Clc1nccn2c1=NCC2.Cl
Isomeric Smiles
Cl.N1=c2c(nccn2CC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.26188207
LogD (pH = 7.4)
0.26306263
Log P
0.2630777
Molar Refractivity
39.6579
Polarizability
14.576358
Polar Surface Area
27.96
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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