Molecule ID: mol9417
SMILES: CC(SCC(=O)O)C(=O)O
InChI: InChI=1S/C5H8O4S/c1-3(5(8)9)10-2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.38 | OCHEM | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 3.38 | QSARToolbox | 0 » -1 |
| 4.45 | QSARToolbox | -1 » -2 |
| 4.45 | IUPAC digitized pKa | -1 » -2 |
| 4.54 | QSARToolbox | -1 » -2 |