Molecule ID: mol34227
SMILES: O=C(O)CSC(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H8O6S/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | QSARToolbox | 0 » -1 |
| 3.91 | QSARToolbox | -1 » -2 |
| 5.03 | QSARToolbox | -2 » -3 |