Molecule ID: mol20942
SMILES: CSCC(=O)/C=N/O
InChI: InChI=1S/C4H7NO2S/c1-8-3-4(6)2-5-7/h2,7H,3H2,1H3/b5-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.16 | QSARToolbox | 0 » -1 |
| 8.16 | QSARToolbox | 0 » -1 |
| 8.16 | OCHEM | 0 » -1 |
| 8.16 | Baltruschat ChEMBL | 0 » -1 |
| 8.16 | AttenGpKa training set | 0 » -1 |