Molecule ID: mol18105
SMILES: C[S+]([O-])CC(=O)/C=N/O
InChI: InChI=1S/C4H7NO3S/c1-9(8)3-4(6)2-5-7/h2,7H,3H2,1H3/b5-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.74 | QSARToolbox | 0 » -1 |
| 7.74 | OCHEM | 0 » -1 |
| 7.74 | Baltruschat ChEMBL | 0 » -1 |
| 7.74 | AttenGpKa training set | 0 » -1 |
| 12.23 | QSARToolbox | -1 » -2 |
| 12.23 | AttenGpKa training set | -1 » -2 |