Molecule ID: mol21757
SMILES: O=C(O)C(O)CO
InChI: InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.52 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.66 | AttenGpKa training set | 0 » -1 |