Molecule ID: mol9791
SMILES: CC(C)(SCC(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4S/c1-6(2,5(9)10)11-3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.48 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | IUPAC digitized pKa | -1 » -2 |
| 4.70 | QSARToolbox | -1 » -2 |