Molecule ID: mol23017
SMILES: O=C(O)c1cc(Br)c(O)cc1O
InChI: InChI=1S/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | AttenGpKa training set | 0 » -1 |
| 7.60 | AttenGpKa training set | -1 » -2 |