Molecule ID: mol22304
SMILES: O=C(O)CCC(=O)C(=O)O
InChI: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.14 | QSARToolbox | 0 » -1 |
| 2.14 | QSARToolbox | 0 » -1 |
| 2.25 | AttenGpKa training set | 0 » -1 |
| 2.47 | QSARToolbox | 0 » -1 |
| 4.64 | QSARToolbox | -1 » -2 |
| 4.68 | QSARToolbox | -1 » -2 |
| 4.97 | AttenGpKa training set | -1 » -2 |