Molecule ID: mol9396
SMILES: CC(=O)C(=NO)C(C)=O
InChI: InChI=1S/C5H7NO3/c1-3(7)5(6-9)4(2)8/h9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | IUPAC digitized pKa | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |
| 7.39 | AttenGpKa training set | 0 » -1 |
| 7.40 | QSARToolbox | 0 » -1 |
| 7.44 | Datawarrior | 0 » -1 |
| 7.44 | OCHEM | 0 » -1 |
| 7.50 | IUPAC digitized pKa | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |
| 7.50 | QSARToolbox | 0 » -1 |