Molecule ID: mol10832
SMILES: O=C(O)c1cccc(O)c(=O)c1C(=O)O
InChI: InChI=1S/C9H6O6/c10-5-3-1-2-4(8(12)13)6(7(5)11)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.24 | IUPAC digitized pKa | 0 » -1 |
| 3.24 | AttenGpKa training set | -1 » -2 |
| 6.26 | IUPAC digitized pKa | -1 » -2 |
| 6.26 | AttenGpKa training set | -2 » -3 |
| 8.57 | IUPAC digitized pKa | -2 » -3 |
| 8.57 | AttenGpKa training set | -2 » -3 |