Molecule ID: mol10186
SMILES: Cc1ccc(S(=O)O)cc1
InChI: InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | OCHEM | 0 » -1 |
| 1.70 | OCHEM | 0 » -1 |
| 1.82 | Datawarrior | 0 » -1 |
| 1.82 | OCHEM | 0 » -1 |
| 1.99 | IUPAC digitized pKa | 0 » -1 |
| 1.99 | AttenGpKa training set | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 1.99 | QSARToolbox | 0 » -1 |
| 2.80 | IUPAC digitized pKa | 0 » -1 |