Molecule ID: mol10038
SMILES: O=c1c(Br)cccc(Br)c1O
InChI: InChI=1S/C7H4Br2O2/c8-4-2-1-3-5(9)7(11)6(4)10/h1-3H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | OCHEM | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | IUPAC digitized pKa | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | AttenGpKa training set | 0 » -1 |