Molecule ID: mol15991
SMILES: CCNC(=O)CS
InChI: InChI=1S/C4H9NOS/c1-2-5-4(6)3-7/h7H,2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.14 | Datawarrior | 0 » -1 |
| 8.14 | OCHEM | 0 » -1 |
| 8.14 | OCHEM | 0 » -1 |
| 8.14 | AttenGpKa training set | 0 » -1 |
| 8.14 | OCHEM | 0 » -1 |