Molecule ID: mol11048
SMILES: C[S+](C)c1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H10O2S/c1-12(2)8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | AttenGpKa training set | 1 » 0 |
| 3.30 | QSARToolbox | 1 » 0 |
| 3.30 | IUPAC digitized pKa | 1 » 0 |