Molecule

ID:67775

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₃N₂
Molecular Mass
197.44972
Exact Mass
195.93618115
Charge
0
InChI
InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3
InChIKey
VTSWSQGDJQFXHB-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c(c(n1)Cl)C
Isomeric Smiles
c1(nc(c(c(n1)Cl)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1201508
LogD (pH = 7.4)
3.1201508
Log P
3.1201508
Molar Refractivity
44.9943
Polarizability
16.374105
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
References
Bioactivity
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