Molecule

ID:39873

General Information
Structure
MolImage
Molecular Formula
C₄HCl₃N₂
Molecular Mass
183.42314
Exact Mass
181.92053108
Charge
0
InChI
InChI=1S/C4HCl3N2/c5-2-1-3(6)8-9-4(2)7/h1H
InChIKey
LJDQXQOPXOLCHL-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)Cl)Cl
Isomeric Smiles
n1c(c(cc(n1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0282917
LogD (pH = 7.4)
2.0282917
Log P
2.0282917
Molar Refractivity
40.3014
Polarizability
14.593289
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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