Molecule

ID:79418

General Information
Structure
Molecular Formula
C₈H₃Cl₃N₂
Molecular Mass
233.48182
Exact Mass
231.93618115
Charge
0
InChI
InChI=1S/C8H3Cl3N2/c9-4-1-2-5-6(3-4)13-8(11)7(10)12-5/h1-3H
InChIKey
GZEGFNCRZUGIOB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)nc(c(n2)Cl)Cl
Isomeric Smiles
n1c(c(nc2ccc(cc12)Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5515668
LogD (pH = 7.4)
3.5515668
Log P
3.5515668
Molar Refractivity
53.9874
Polarizability
21.87696
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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