Molecule ID: mol13139
SMILES: CC(=O)NC(CS)C(=O)O
InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | OCHEM | 0 » -1 |
| 3.08 | Datawarrior | 0 » -1 |
| 9.52 | QSARToolbox | -1 » -2 |
| 9.62 | QSARToolbox | -1 » -2 |
| 9.62 | Datawarrior | -1 » -2 |