Molecule ID: mol7176
SMILES: Oc1ncc(-c2ccc(Br)cc2)cn1
InChI: InChI=1S/C10H7BrN2O/c11-9-3-1-7(2-4-9)8-5-12-10(14)13-6-8/h1-6H,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.63 | QSARToolbox | 1 » 0 |
| 8.56 | IUPAC digitized pKa | 0 » -1 |
| 8.56 | QSARToolbox | 0 » -1 |