Molecule ID: mol10490
SMILES: O=C(O)c1ccc(Br)cc1C(=O)O
InChI: InChI=1S/C8H5BrO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.80 | OCHEM | 0 » -1 |
| 2.80 | OCHEM | 0 » -1 |
| 4.60 | QSARToolbox | -1 » -2 |
| 4.60 | IUPAC digitized pKa | -1 » -2 |
| 4.60 | OCHEM | -1 » -2 |