Molecule ID: mol22544
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+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.14 | QSARToolbox | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.28 | QSARToolbox | 0 » -1 |
| 3.29 | QSARToolbox | 0 » -1 |
| 3.29 | AttenGpKa training set | 0 » -1 |
| 4.82 | QSARToolbox | 0 » -1 |
| 4.84 | QSARToolbox | 0 » -1 |
| 4.90 | QSARToolbox | 0 » -1 |
| 4.92 | AttenGpKa training set | 0 » -1 |
| 4.92 | QSARToolbox | 0 » -1 |
| 13.97 | AttenGpKa training set | -3 » -4 |