Molecule ID: mol22234
SMILES: CC(=O)[C@H]1C[C@H]1C(=O)O
InChI: InChI=1S/C6H8O3/c1-3(7)4-2-5(4)6(8)9/h4-5H,2H2,1H3,(H,8,9)/t4-,5-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.19 | AttenGpKa training set | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |