Molecule

ID:64653

General Information
Structure
MolImage
Molecular Formula
C₆H₆Cl₃N₃
Molecular Mass
226.49094
Exact Mass
224.96273025
Charge
0
InChI
InChI=1S/C6H5Cl2N3.ClH/c7-5-3-1-9-2-4(3)10-6(8)11-5;/h9H,1-2H2;1H
InChIKey
HQPWDHFFMDIBDT-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)CNC2.Cl
Isomeric Smiles
c1(nc(Cl)c2c(n1)CNC2)Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.27764446
LogD (pH = 7.4)
1.0436778
Log P
1.1735557
Molar Refractivity
45.3674
Polarizability
17.052378
Polar Surface Area
37.81
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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