Molecule

ID:53474

General Information
Structure
MolImage
Molecular Formula
C₃H₃NO₂S
Molecular Mass
117.12642
Exact Mass
116.98844934
Charge
0
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
InChIKey
ZOBPZXTWZATXDG-UHFFFAOYSA-N
Canonic Smiles
O=C1SCC(=O)N1
Isomeric Smiles
N1C(=O)SCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.77
LogD (pH = 5.5)
-0.29
Log P
-0.28
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.06
Polar Surface Area
46.17
Polarizability
9.67
Molar Refractivity
25.54
LOG S
-0.84
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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