Molecule ID: mol22543
SMILES: O=C(O)[C@@H](O)[C@H](O)C(=O)O
InChI: InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.14 | QSARToolbox | -1 » -2 |
| 2.88 | QSARToolbox | -1 » -2 |
| 2.98 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | AttenGpKa training set | 0 » -1 |
| 3.16 | QSARToolbox | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |
| 4.02 | QSARToolbox | 0 » -1 |
| 4.39 | QSARToolbox | 0 » -1 |
| 4.45 | AttenGpKa training set | 0 » -1 |
| 14.14 | AttenGpKa training set | -3 » -4 |
| 14.14 | QSARToolbox | -3 » -4 |