Molecule

ID:68295

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂N₃
Molecular Mass
173.98754
Exact Mass
172.95475241
Charge
0
InChI
InChI=1S/C5HCl2N3/c6-4-3(1-8)5(7)10-2-9-4/h2H
InChIKey
IPEBKIMUIHKZJP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)ncnc1Cl
Isomeric Smiles
c1nc(c(c(n1)Cl)C#N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5542754
LogD (pH = 7.4)
1.5542754
Log P
1.5542754
Molar Refractivity
40.1761
Polarizability
14.448516
Polar Surface Area
49.57
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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