Molecule ID: mol22561
SMILES: CC1[C@](C)(C(=O)O)[C@@]1(C)C(=O)O
InChI: InChI=1S/C8H12O4/c1-4-7(2,5(9)10)8(4,3)6(11)12/h4H,1-3H3,(H,9,10)(H,11,12)/t7-,8-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | AttenGpKa training set | 0 » -1 |
| 5.42 | AttenGpKa training set | -1 » -2 |