Molecule ID: mol19509
SMILES: O=C(O)C(=O)CC(=O)c1ccc(-c2ccc(Br)cc2)cc1
InChI: InChI=1S/C16H11BrO4/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14(18)9-15(19)16(20)21/h1-8H,9H2,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Baltruschat ChEMBL | 0 » -1 |
| 8.35 | Baltruschat ChEMBL | -1 » -2 |