Molecule ID: mol10189
SMILES: C[S+]([O-])c1ccc(O)cc1
InChI: InChI=1S/C7H8O2S/c1-10(9)7-4-2-6(8)3-5-7/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.25 | AttenGpKa training set | 0 » -1 |
| 8.28 | OCHEM | 0 » -1 |
| 8.28 | QSARToolbox | 0 » -1 |
| 8.28 | QSARToolbox | 0 » -1 |
| 8.28 | IUPAC digitized pKa | 0 » -1 |
| 8.28 | Datawarrior | 0 » -1 |
| 8.28 | OCHEM | 0 » -1 |
| 8.43 | IUPAC digitized pKa | 0 » -1 |