Molecule ID: mol15938
SMILES: CC(=O)/C=C(/C)O
InChI: InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3,6H,1-2H3/b4-3-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.64 | Datawarrior | 0 » -1 |
| 8.20 | AttenGpKa training set | 0 » -1 |
| 8.22 | QSARToolbox | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |