Molecule ID: mol10037
SMILES: O=c1ccc(Br)cc(Br)c1O
InChI: InChI=1S/C7H4Br2O2/c8-4-1-2-6(10)7(11)5(9)3-4/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | QSARToolbox | 0 » -1 |
| 5.18 | QSARToolbox | 0 » -1 |
| 5.18 | IUPAC digitized pKa | 0 » -1 |
| 5.18 | OCHEM | 0 » -1 |
| 5.18 | OCHEM | 0 » -1 |
| 5.18 | AttenGpKa training set | 0 » -1 |