Molecule ID: mol22535
SMILES: C[C@]1(C(=O)O)O[C@@H]1C(=O)O
InChI: InChI=1S/C5H6O5/c1-5(4(8)9)2(10-5)3(6)7/h2H,1H3,(H,6,7)(H,8,9)/t2-,5+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | AttenGpKa training set | 0 » -1 |
| 3.63 | AttenGpKa training set | -1 » -2 |