Molecule ID: mol12949
SMILES: COc1csc(C(=O)O)c1
InChI: InChI=1S/C6H6O3S/c1-9-4-2-5(6(7)8)10-3-4/h2-3H,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.41 | Datawarrior | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | QSARToolbox | 0 » -1 |
| 3.41 | OCHEM | 0 » -1 |