Molecule ID: mol9059
SMILES: CCC(=O)NO
InChI: InChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.36 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.40 | QSARToolbox | 0 » -1 |
| 9.46 | Datawarrior | 0 » -1 |
| 9.46 | OCHEM | 0 » -1 |
| 9.46 | AttenGpKa training set | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |