Molecule

ID:66969

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClN₃
Molecular Mass
119.55284
Exact Mass
119.02502489
Charge
0
InChI
InChI=1S/C3H5N3.ClH/c4-3-1-5-6-2-3;/h1-2H,4H2,(H,5,6);1H
InChIKey
KZDSLIPVDTVHLL-UHFFFAOYSA-N
Canonic Smiles
Nc1c[nH]nc1.Cl
Isomeric Smiles
[nH]1ncc(c1)N.Cl
Calculated Properties
JChem
Acid pKa
17.75341
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5515532
LogD (pH = 7.4)
-0.55149686
Log P
-0.55149615
Molar Refractivity
24.4458
Polarizability
8.288798
Polar Surface Area
54.7
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
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Molecule Details
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References
Bioactivity
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