Molecule ID: mol9119
SMILES: C=C=CC(=O)O
InChI: InChI=1S/C4H4O2/c1-2-3-4(5)6/h3H,1H2,(H,5,6)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | AttenGpKa training set | 0 » -1 |
| 3.69 | IUPAC digitized pKa | 0 » -1 |
| 3.96 | Datawarrior | 0 » -1 |
| 3.96 | OCHEM | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |
| 3.96 | QSARToolbox | 0 » -1 |