Molecule

ID:68250

General Information
Structure
MolImage
Molecular Formula
C₅H₄Cl₂N₂
Molecular Mass
163.00466
Exact Mass
161.9751535
Charge
0
InChI
InChI=1S/C5H4Cl2N2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKey
SIUNBOQRQYAIJI-UHFFFAOYSA-N
Canonic Smiles
Clc1c(C)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)C)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6093206
LogD (pH = 7.4)
1.6093715
Log P
1.6093721
Molar Refractivity
37.9847
Polarizability
14.271834
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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