Molecule ID: mol9447
SMILES: CCCSCC(=O)O
InChI: InChI=1S/C5H10O2S/c1-2-3-8-4-5(6)7/h2-4H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | QSARToolbox | 0 » -1 |
| 3.77 | Datawarrior | 0 » -1 |
| 3.77 | OCHEM | 0 » -1 |
| 3.77 | AttenGpKa training set | 0 » -1 |