Molecule

ID:18308

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄OS
Molecular Mass
158.18164
Exact Mass
158.02623183
Charge
0
InChI
InChI=1S/C4H6N4OS/c1-2(9)6-4-7-3(5)10-8-4/h1H3,(H3,5,6,7,8,9)
InChIKey
SOXWDJNFKFONRS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1nsc(n1)N
Isomeric Smiles
n1c(nsc1N)NC(=O)C
Calculated Properties
JChem
Acid pKa
11.782302
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.10486147
LogD (pH = 7.4)
0.104847886
Log P
0.10486504
Molar Refractivity
40.0624
Polarizability
13.456211
Polar Surface Area
80.9
Rotatable Bonds
1
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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