Molecule ID: mol10188
SMILES: C[S+]([O-])c1cccc(O)c1
InChI: InChI=1S/C7H8O2S/c1-10(9)7-4-2-3-6(8)5-7/h2-5,8H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | AttenGpKa training set | 0 » -1 |
| 8.75 | IUPAC digitized pKa | 0 » -1 |
| 8.75 | Datawarrior | 0 » -1 |
| 8.75 | OCHEM | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.75 | QSARToolbox | 0 » -1 |
| 8.79 | IUPAC digitized pKa | 0 » -1 |