Molecule
ID:61839
General Information
Molecular Formula
C₂H₄ClN₃S
Molecular Mass
137.59126
Exact Mass
136.98144582
Charge
0
InChI
InChI=1S/C2H3N3S.ClH/c3-2-4-1-5-6-2;/h1H,(H2,3,4,5);1H
InChIKey
JCIIKRHCWVHVFF-UHFFFAOYSA-N
Canonic Smiles
Nc1ncns1.Cl
Isomeric Smiles
s1ncnc1N.Cl
Calculated Properties
JChem
Acid pKa
14.293071
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.18826765
LogD (pH = 7.4)
0.18836732
Log P
0.18836865
Molar Refractivity
25.2534
Polarizability
8.503553
Polar Surface Area
51.8
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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