Molecule

ID:68450

General Information
Structure
MolImage
Molecular Formula
C₄HCl₃N₂
Molecular Mass
183.42314
Exact Mass
181.92053108
Charge
0
InChI
InChI=1S/C4HCl3N2/c5-2-1-8-9-4(7)3(2)6/h1H
InChIKey
GBAOOJAWDCNOGO-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)cnnc1Cl
Isomeric Smiles
c1(c(c(cnn1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8081132
LogD (pH = 7.4)
1.8081146
Log P
1.8081146
Molar Refractivity
39.2401
Polarizability
14.56917
Polar Surface Area
25.78
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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