Molecule ID: mol699
SMILES: CNC(=O)CS
InChI: InChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.05 | Datawarrior | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |
| 8.05 | Hunt | 0 » -1 |
| 8.05 | AttenGpKa training set | 0 » -1 |
| 8.05 | QSARToolbox | 0 » -1 |
| 8.05 | OCHEM | 0 » -1 |