Molecule ID: mol14844
SMILES: Brc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChI: InChI=1S/C15H10BrNO/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-10H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.65 | QSARToolbox | 1 » 0 |
| 0.65 | OCHEM | 1 » 0 |
| 0.65 | Datawarrior | 1 » 0 |