Molecule ID: mol14832
SMILES: Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1
InChI: InChI=1S/C15H12N2O/c16-13-8-6-11(7-9-13)14-10-17-15(18-14)12-4-2-1-3-5-12/h1-10H,16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | Datawarrior | 2 » 1 |
| 0.50 | QSARToolbox | 2 » 1 |
| 0.50 | QSARToolbox | 2 » 1 |
| 3.68 | Datawarrior | 1 » 0 |
| 3.68 | QSARToolbox | 1 » 0 |
| 3.68 | OCHEM | 1 » 0 |