Molecule

ID:34271

General Information
Structure
Molecular Formula
C₅H₇NO₃S₂
Molecular Mass
193.24398
Exact Mass
192.98673509
Charge
0
InChI
InChI=1S/C5H7NO3S2/c6-11(8,9)5-1-2-10-4(5)3-7/h1-2,7H,3H2,(H2,6,8,9)
InChIKey
OODNYCRFXITGQK-UHFFFAOYSA-N
Canonic Smiles
OCc1sccc1S(=O)(=O)N
Isomeric Smiles
S(=O)(=O)(c1c(scc1)CO)N
Calculated Properties
JChem
Acid pKa
9.366374
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.27524415
LogD (pH = 7.4)
-0.27932444
Log P
-0.2751918
Molar Refractivity
41.9217
Polarizability
16.916014
Polar Surface Area
80.39
Rotatable Bonds
2
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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