Molecule ID: mol14135
SMILES: CC(=O)c1ccc(C(=O)O)s1
InChI: InChI=1S/C7H6O3S/c1-4(8)5-2-3-6(11-5)7(9)10/h2-3H,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | Datawarrior | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |