Molecule

ID:67324

General Information
Structure
MolImage
Molecular Formula
C₄HCl₃N₂
Molecular Mass
183.42314
Exact Mass
181.92053108
Charge
0
InChI
InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
AUWPHGWEYHEAIG-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.302224
LogD (pH = 7.4)
2.302224
Log P
2.302224
Molar Refractivity
39.2593
Polarizability
14.603429
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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