Molecule ID: mol9813
SMILES: CCCCSCC(=O)O
InChI: InChI=1S/C6H12O2S/c1-2-3-4-9-5-6(7)8/h2-5H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | IUPAC digitized pKa | 0 » -1 |
| 3.81 | OCHEM | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | QSARToolbox | 0 » -1 |
| 3.81 | Datawarrior | 0 » -1 |
| 3.81 | AttenGpKa training set | 0 » -1 |