Molecule ID: mol15539
SMILES: Nc1ccc(-c2cnc(-c3ccc(Br)cc3)o2)cc1
InChI: InChI=1S/C15H11BrN2O/c16-12-5-1-11(2-6-12)15-18-9-14(19-15)10-3-7-13(17)8-4-10/h1-9H,17H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.26 | QSARToolbox | 2 » 1 |
| 0.26 | QSARToolbox | 2 » 1 |
| 0.26 | Datawarrior | 2 » 1 |
| 3.51 | QSARToolbox | 1 » 0 |
| 3.51 | Datawarrior | 1 » 0 |
| 3.51 | OCHEM | 1 » 0 |