Molecule

ID:70830

General Information
Structure
MolImage
Molecular Formula
C₅HCl₂N₃
Molecular Mass
173.98754
Exact Mass
172.95475241
Charge
0
InChI
InChI=1S/C5HCl2N3/c6-4-1-3(2-8)9-5(7)10-4/h1H
InChIKey
HLAOENZTDMPYNY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(Cl)nc(n1)Cl
Isomeric Smiles
c1(nc(cc(n1)Cl)C#N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.024454
LogD (pH = 7.4)
2.024454
Log P
2.024454
Molar Refractivity
39.4366
Polarizability
14.479644
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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