Molecule ID: mol10392
SMILES: O=C(O)c1ccccc(O)c1=O
InChI: InChI=1S/C8H6O4/c9-6-4-2-1-3-5(7(6)10)8(11)12/h1-4H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 7.98 | IUPAC digitized pKa | -1 » -2 |
| 7.98 | AttenGpKa training set | -1 » -2 |