Molecule ID: mol11047
SMILES: C[S+](C)c1cccc(C(=O)O)c1
InChI: InChI=1S/C9H10O2S/c1-12(2)8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | AttenGpKa training set | 1 » 0 |
| 3.20 | IUPAC digitized pKa | 1 » 0 |
| 3.20 | QSARToolbox | 1 » 0 |