Molecule ID: mol21746
SMILES: O=C(O)c1c(O)cc(O)cc1O
InChI: InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.68 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 1.68 | OCHEM | 0 » -1 |
| 1.68 | OCHEM | 0 » -1 |
| 1.68 | AttenGpKa training set | 0 » -1 |