Molecule ID: mol22569
SMILES: CC[C@H](C(=O)O)[C@@H](CC)C(=O)O
InChI: InChI=1S/C8H14O4/c1-3-5(7(9)10)6(4-2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-,6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.63 | AttenGpKa training set | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |
| 6.46 | AttenGpKa training set | -1 » -2 |