Molecule ID: mol22589
SMILES: O=C(O)C[C@@]1(C(=O)O)O[C@H]1C(=O)O
InChI: InChI=1S/C6H6O7/c7-2(8)1-6(5(11)12)3(13-6)4(9)10/h3H,1H2,(H,7,8)(H,9,10)(H,11,12)/t3-,6+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.80 | AttenGpKa training set | 0 » -1 |
| 3.33 | AttenGpKa training set | -2 » -3 |
| 5.70 | AttenGpKa training set | -2 » -3 |