Molecule

ID:64755

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₃N₃
Molecular Mass
234.46988
Exact Mass
232.93143012
Charge
0
InChI
InChI=1S/C7H2Cl3N3/c8-4-2-1-3-5(9)12-7(10)13-6(3)11-4/h1-2H
InChIKey
DNFDLCRLLQVUQK-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(n1)nc(nc2Cl)Cl
Isomeric Smiles
c1(ccc2c(n1)nc(nc2Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0893886
LogD (pH = 7.4)
3.0893886
Log P
3.0893886
Molar Refractivity
55.4472
Polarizability
20.50289
Polar Surface Area
38.67
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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