Molecule

ID:53663

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₃N₂
Molecular Mass
197.44972
Exact Mass
195.93618115
Charge
0
InChI
InChI=1S/C5H3Cl3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChIKey
MLXZCYRURHJFLL-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(Cl)c(c(n1)Cl)Cl
Isomeric Smiles
c1(c(nc(nc1Cl)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8340864
LogD (pH = 7.4)
2.8340867
Log P
2.8340867
Molar Refractivity
43.8837
Polarizability
16.33225
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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