Molecule ID: mol10028
SMILES: O=c1c(Br)cc(Br)cc(Br)c1O
InChI: InChI=1S/C7H3Br3O2/c8-3-1-4(9)6(11)7(12)5(10)2-3/h1-2H,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.27 | AttenGpKa training set | 0 » -1 |