Molecule

ID:120352

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄S
Molecular Mass
152.17706
Exact Mass
152.01566715
Charge
0
InChI
InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
GLVAUDGFNGKCSF-UHFFFAOYSA-N
Canonic Smiles
Sc1ncnc2c1[nH]cn2
Isomeric Smiles
c12c(nc[nH]2)ncnc1S
Calculated Properties
JChem
LogD (pH = 7.4)
0.11
LogD (pH = 5.5)
0.34
Log P
0.35
Rotatable Bonds
0
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
7.51
Polar Surface Area
54.46
Polarizability
13.92
Molar Refractivity
41.53
LOG S
-2.57
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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