Molecule ID: mol22765
SMILES: O=C(O)c1cccc(C(=O)O)c1O
InChI: InChI=1S/C8H6O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.87 | AttenGpKa training set | -1 » -2 |
| 4.52 | AttenGpKa training set | 0 » -1 |