Molecule ID: mol22549
SMILES: C[C@]1(C(=O)O)C[C@]1(C)C(=O)O
InChI: InChI=1S/C7H10O4/c1-6(4(8)9)3-7(6,2)5(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)/t6-,7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | AttenGpKa training set | 0 » -1 |
| 5.24 | AttenGpKa training set | -1 » -2 |