Molecule ID: mol15977
SMILES: CC(=O)CC(N)=O
InChI: InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.40 | QSARToolbox | 0 » -1 |
| 10.41 | QSARToolbox | 0 » -1 |
| 10.41 | Datawarrior | 0 » -1 |
| 10.41 | OCHEM | 0 » -1 |
| 10.41 | AttenGpKa training set | 0 » -1 |