Molecule

ID:84975

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₃N₂
Molecular Mass
197.44972
Exact Mass
195.93618115
Charge
0
InChI
InChI=1S/C5H3Cl3N2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
InChIKey
YYJDUYUWQJWYNA-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(c(c1N)Cl)Cl
Isomeric Smiles
n1c(c(c(c(c1)Cl)N)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9588772
LogD (pH = 7.4)
1.9589577
Log P
1.9589586
Molar Refractivity
44.0772
Polarizability
16.485723
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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