Molecule ID: mol13646
SMILES: CC1(C)SC(=O)NC1=O
InChI: InChI=1S/C5H7NO2S/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.64 | QSARToolbox | 0 » -1 |
| 6.64 | OCHEM | 0 » -1 |
| 6.64 | Datawarrior | 0 » -1 |
| 6.64 | AttenGpKa training set | 0 » -1 |