Molecule

ID:113200

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃OS₂
Molecular Mass
175.232
Exact Mass
174.9874038
Charge
0
InChI
InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)
InChIKey
DWSMAMSVZRCQMP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1nnc(s1)S
Isomeric Smiles
c1(sc(nn1)S)NC(=O)C
Calculated Properties
JChem
Acid pKa
6.3843155
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.39654928
LogD (pH = 7.4)
-0.46555576
Log P
0.44770944
Molar Refractivity
43.2086
Polarizability
15.361138
Polar Surface Area
54.88
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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