Molecule ID: mol22197
SMILES: C/C(O)=C/C(=O)O
InChI: InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2,5H,1H3,(H,6,7)/b3-2-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | AttenGpKa training set | 0 » -1 |
| 4.05 | QSARToolbox | 0 » -1 |
| 13.18 | AttenGpKa training set | -1 » -2 |