Molecule ID: mol10489
SMILES: O=C(O)c1cccc(Br)c1C(=O)O
InChI: InChI=1S/C8H5BrO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.27 | QSARToolbox | 0 » -1 |
| 2.27 | QSARToolbox | 0 » -1 |
| 2.27 | QSARToolbox | 0 » -1 |
| 2.27 | IUPAC digitized pKa | 0 » -1 |
| 2.27 | OCHEM | 0 » -1 |
| 2.27 | OCHEM | 0 » -1 |
| 4.35 | QSARToolbox | -1 » -2 |
| 4.35 | IUPAC digitized pKa | -1 » -2 |
| 4.35 | OCHEM | -1 » -2 |