Molecule ID: mol3485
SMILES: Cc1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.61 | QSARToolbox | 0 » -1 |
| 9.61 | QSARToolbox | 0 » -1 |
| 9.61 | QSARToolbox | 0 » -1 |
| 9.61 | OCHEM | 0 » -1 |
| 9.89 | Datawarrior | 0 » -1 |
| 9.89 | OCHEM | 0 » -1 |
| 9.96 | AttenGpKa training set | 0 » -1 |
| 10.17 | IUPAC digitized pKa | 0 » -1 |
| 10.17 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.17 | QSARToolbox | 0 » -1 |