Molecule ID: mol12923
SMILES: CCc1cc(C(=O)O)cs1
InChI: InChI=1S/C7H8O2S/c1-2-6-3-5(4-10-6)7(8)9/h3-4H,2H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | Datawarrior | 0 » -1 |
| 4.19 | AttenGpKa training set | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.19 | OCHEM | 0 » -1 |