Molecule

ID:60846

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄OS
Molecular Mass
144.15506
Exact Mass
144.01058177
Charge
0
InChI
InChI=1S/C3H4N4OS/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
InChIKey
UJGNCAQCZPMJQF-UHFFFAOYSA-N
Canonic Smiles
Nc1[nH]c(S)nc(=O)n1
Isomeric Smiles
n1c(=O)nc([nH]c1S)N
Calculated Properties
JChem
Acid pKa
6.2888637
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.48527822
LogD (pH = 7.4)
-1.2868652
Log P
-0.42497167
Molar Refractivity
33.1557
Polarizability
12.548687
Polar Surface Area
79.84
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
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Molecule Details
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References
Bioactivity
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