Molecule

ID:75734

General Information
Structure
MolImage
Molecular Formula
C₃H₆ClN₃
Molecular Mass
119.55284
Exact Mass
119.02502489
Charge
0
InChI
InChI=1S/C3H5N3.ClH/c4-3-5-1-2-6-3;/h1-2H,(H3,4,5,6);1H
InChIKey
QKUZBZFCWCJPFK-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc[nH]1.Cl
Isomeric Smiles
n1c([nH]cc1)N.Cl
Calculated Properties
JChem
Acid pKa
13.927375
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.3633752
LogD (pH = 7.4)
-1.3127708
Log P
-0.28990015
Molar Refractivity
23.1865
Polarizability
8.296565
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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