Molecule ID: mol22538
SMILES: C[C@H](C(=O)O)[C@@H](C)C(=O)O
InChI: InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/t3-,4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | QSARToolbox | -1 » -2 |
| 3.77 | AttenGpKa training set | -1 » -2 |
| 5.36 | QSARToolbox | 0 » -1 |
| 5.94 | AttenGpKa training set | 0 » -1 |