Molecule ID: mol9497
SMILES: CS(=O)(=O)c1cc(=O)[nH]c(=O)[nH]1
InChI: InChI=1S/C5H6N2O4S/c1-12(10,11)4-2-3(8)6-5(9)7-4/h2H,1H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | IUPAC digitized pKa | 0 » -1 |
| 4.68 | AttenGpKa training set | 0 » -1 |
| 4.73 | IUPAC digitized pKa | 0 » -1 |
| 4.73 | QSARToolbox | 0 » -1 |