Molecule ID: mol11144
SMILES: Cc1ccc(O)cc1[S+](C)C
InChI: InChI=1S/C9H12OS/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.01 | IUPAC digitized pKa | 1 » 0 |
| 8.01 | Datawarrior | 1 » 0 |
| 8.01 | AttenGpKa training set | 1 » 0 |
| 8.01 | OCHEM | 1 » 0 |
| 8.01 | QSARToolbox | 1 » 0 |