Molecule ID: mol14103
SMILES: CSc1ccccc1C(=O)O
InChI: InChI=1S/C8H8O2S/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.78 | AttenGpKa training set | 0 » -1 |
| 3.89 | Datawarrior | 0 » -1 |
| 3.89 | OCHEM | 0 » -1 |