Molecule ID: mol10393
SMILES: O=C(O)c1ccc(O)c(=O)cc1
InChI: InChI=1S/C8H6O4/c9-6-3-1-5(8(11)12)2-4-7(6)10/h1-4H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | IUPAC digitized pKa | 0 » -1 |
| 4.05 | AttenGpKa training set | 0 » -1 |
| 6.41 | IUPAC digitized pKa | -1 » -2 |
| 6.41 | AttenGpKa training set | -1 » -2 |