Molecule ID: mol15889
SMILES: CC(=O)/C=N/O
InChI: InChI=1S/C3H5NO2/c1-3(5)2-4-6/h2,6H,1H3/b4-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | OCHEM | 0 » -1 |
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.30 | Baltruschat ChEMBL | 0 » -1 |
| 8.30 | AttenGpKa training set | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.30 | QSARToolbox | 0 » -1 |
| 8.33 | Datawarrior | 0 » -1 |
| 8.40 | QSARToolbox | 0 » -1 |
| 8.40 | OCHEM | 0 » -1 |
| 8.40 | Baltruschat ChEMBL | 0 » -1 |