Molecule ID: mol22529
SMILES: O=C(O)[C@@H]1O[C@H]1C(=O)O
InChI: InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.92 | QSARToolbox | 0 » -1 |
| 2.15 | AttenGpKa training set | -1 » -2 |
| 3.25 | QSARToolbox | -1 » -2 |
| 3.31 | AttenGpKa training set | -1 » -2 |