Molecule ID: mol14831
SMILES: Nc1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChI: InChI=1S/C15H12N2O/c16-13-8-6-12(7-9-13)15-17-10-14(18-15)11-4-2-1-3-5-11/h1-10H,16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.06 | QSARToolbox | 2 » 1 |
| 0.06 | QSARToolbox | 2 » 1 |
| 0.06 | Datawarrior | 2 » 1 |
| 3.01 | QSARToolbox | 1 » 0 |
| 3.01 | Datawarrior | 1 » 0 |
| 3.01 | OCHEM | 1 » 0 |