Molecule ID: mol22526
SMILES: C/C(=C\C(=O)O)C(=O)O
InChI: InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | QSARToolbox | 0 » -1 |
| 3.09 | AttenGpKa training set | 0 » -1 |
| 3.32 | QSARToolbox | 0 » -1 |
| 4.73 | QSARToolbox | -1 » -2 |
| 4.75 | QSARToolbox | -1 » -2 |
| 4.80 | AttenGpKa training set | -1 » -2 |