Molecule

ID:50974

General Information
Structure
MolImage
Molecular Formula
C₆HCl₃N₂
Molecular Mass
207.44454
Exact Mass
205.92053108
Charge
0
InChI
InChI=1S/C6HCl3N2/c7-4-2-11-6(9)5(8)3(4)1-10/h2H
InChIKey
VXPROKFFQFRCKP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)cnc(c1Cl)Cl
Isomeric Smiles
c1(c(c(ncc1Cl)Cl)Cl)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6439807
LogD (pH = 7.4)
2.6439807
Log P
2.6439807
Molar Refractivity
45.0984
Polarizability
17.21307
Polar Surface Area
36.68
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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