Molecule

ID:86918

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₄S₂
Molecular Mass
160.22066
Exact Mass
159.98773815
Charge
0
InChI
InChI=1S/C3H4N4S2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
InChIKey
QQLZTRHXUSFZOM-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(S)nc(n1)S
Isomeric Smiles
n1c(nc(nc1S)N)S
Calculated Properties
JChem
Acid pKa
8.279069
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.2488762
LogD (pH = 7.4)
1.1971786
Log P
1.2495785
Molar Refractivity
43.0796
Polarizability
14.996449
Polar Surface Area
64.69
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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