Molecule ID: mol22591
SMILES: C[C@H]1[C@](Cl)(C(=O)O)[C@]1(C)C(=O)O
InChI: InChI=1S/C7H9ClO4/c1-3-6(2,4(9)10)7(3,8)5(11)12/h3H,1-2H3,(H,9,10)(H,11,12)/t3-,6+,7+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | AttenGpKa training set | 0 » -1 |
| 5.41 | AttenGpKa training set | -1 » -2 |