Molecule

ID:51535

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂S
Molecular Mass
121.15818
Exact Mass
121.01974947
Charge
0
InChI
InChI=1S/C3H7NO2S/c4-7(5,6)3-1-2-3/h3H,1-2H2,(H2,4,5,6)
InChIKey
WMSPXQIQBQAWLL-UHFFFAOYSA-N
Canonic Smiles
NS(=O)(=O)C1CC1
Isomeric Smiles
C1(CC1)S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
12.34137
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7653066
LogD (pH = 7.4)
-0.76531094
Log P
-0.76530653
Molar Refractivity
25.5257
Polarizability
10.942864
Polar Surface Area
60.16
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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