Molecule

ID:68455

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClN₃
Molecular Mass
139.54248
Exact Mass
138.99372476
Charge
0
InChI
InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
InChIKey
XCZYVEHAGNDPGY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ncc(cn1)Cl
Isomeric Smiles
c1(ncc(cn1)Cl)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1589093
LogD (pH = 7.4)
1.1589093
Log P
1.1589093
Molar Refractivity
32.9096
Polarizability
12.358541
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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