Molecule ID: mol10333
SMILES: NS(=O)(=O)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.47 | IUPAC digitized pKa | 0 » -1 |
| 3.47 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | OCHEM | 0 » -1 |
| 3.47 | AttenGpKa training set | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.47 | QSARToolbox | 0 » -1 |
| 3.51 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.52 | QSARToolbox | 0 » -1 |
| 3.53 | Datawarrior | 0 » -1 |
| 3.53 | OCHEM | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |