Molecule

ID:80236

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c1-9-3-2-5-7-4(8)6-3/h2H,1H3,(H,6,7,8)
InChIKey
RFTNJRSVGZIIOW-UHFFFAOYSA-N
Canonic Smiles
CSc1cn[nH]c(=O)n1
Isomeric Smiles
n1c(cn[nH]c1=O)SC
Calculated Properties
JChem
Acid pKa
7.6435003
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.43321595
LogD (pH = 7.4)
0.2672322
Log P
0.43596995
Molar Refractivity
35.1216
Polarizability
13.198952
Polar Surface Area
53.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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