Molecule ID: mol10394
SMILES: O=C(O)c1cccc(O)c(=O)c1
InChI: InChI=1S/C8H6O4/c9-6-3-1-2-5(8(11)12)4-7(6)10/h1-4H,(H,9,10)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | IUPAC digitized pKa | 0 » -1 |
| 3.42 | AttenGpKa training set | 0 » -1 |
| 7.03 | IUPAC digitized pKa | -1 » -2 |
| 7.03 | AttenGpKa training set | -1 » -2 |