Molecule ID: mol10844
SMILES: O=C(O)Cc1ccccc(O)c1=O
InChI: InChI=1S/C9H8O4/c10-7-4-2-1-3-6(9(7)13)5-8(11)12/h1-4H,5H2,(H,10,13)(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.52 | IUPAC digitized pKa | 0 » -1 |
| 4.52 | AttenGpKa training set | 0 » -1 |
| 8.77 | IUPAC digitized pKa | -1 » -2 |
| 8.77 | AttenGpKa training set | -1 » -2 |