Molecule ID: mol12738
SMILES: Oc1ccc2cc(Br)ccc2c1
InChI: InChI=1S/C10H7BrO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1-6,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | QSARToolbox | 0 » -1 |
| 9.20 | Datawarrior | 0 » -1 |