Molecule ID: mol12411
SMILES: O=C(O)c1cncs1
InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.82 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.99 | Datawarrior | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | AttenGpKa training set | 0 » -1 |
| 3.18 | QSARToolbox | 0 » -1 |