Molecule ID: mol696
SMILES: CCCC(=O)NO
InChI: InChI=1S/C4H9NO2/c1-2-3-4(6)5-7/h7H,2-3H2,1H3,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.48 | OCHEM | 0 » -1 |
| 9.48 | QSARToolbox | 0 » -1 |
| 9.48 | QSARToolbox | 0 » -1 |
| 9.48 | Datawarrior | 0 » -1 |
| 9.48 | OCHEM | 0 » -1 |
| 9.48 | Hunt | 0 » -1 |
| 9.48 | AttenGpKa training set | 0 » -1 |
| 9.50 | IUPAC digitized pKa | 0 » -1 |