Molecule ID: mol14108
SMILES: CSc1ccc(C(=O)O)cc1
InChI: InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.74 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | AttenGpKa training set | 0 » -1 |
| 4.23 | Datawarrior | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |