Molecule ID: mol30580
SMILES: O=C(O)c1ccc(O)c(O)c1O
InChI: InChI=1S/C7H6O5/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,8-10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | AttenGpKa training set | 0 » -1 |
| 8.84 | AttenGpKa training set | -1 » -2 |
| 12.40 | AttenGpKa training set | -2 » -3 |