Molecule ID: mol15845
SMILES: CC(=O)CC=O
InChI: InChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.92 | AttenGpKa training set | 0 » -1 |
| 5.92 | QSARToolbox | 0 » -1 |
| 6.12 | OCHEM | 0 » -1 |
| 6.12 | Datawarrior | 0 » -1 |
| 6.33 | QSARToolbox | 0 » -1 |
| 6.33 | QSARToolbox | 0 » -1 |