Molecule ID: mol13650
SMILES: CN1CSCC1C(=O)O
InChI: InChI=1S/C5H9NO2S/c1-6-3-9-2-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.51 | Datawarrior | 1 » 0 |
| 1.51 | OCHEM | 1 » 0 |
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | Datawarrior | 0 » -1 |