Molecule ID: mol20943
SMILES: C[S+](C)CC(=O)/C=N/O
InChI: InChI=1S/C5H9NO2S/c1-9(2)4-5(7)3-6-8/h3H,4H2,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.54 | QSARToolbox | 1 » 0 |
| 6.54 | OCHEM | 1 » 0 |
| 6.54 | Baltruschat ChEMBL | 1 » 0 |
| 6.54 | AttenGpKa training set | 1 » 0 |
| 6.78 | QSARToolbox | 1 » 0 |
| 10.55 | QSARToolbox | 1 » 0 |