Molecule ID: mol12437
SMILES: CC/C=C/CC(=O)O
InChI: InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | Datawarrior | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |
| 4.72 | OCHEM | 0 » -1 |
| 4.72 | OCHEM | 0 » -1 |