Molecule ID: mol14681
SMILES: COc1ccc(-c2ncc(-c3ccc(N)cc3)o2)cc1
InChI: InChI=1S/C16H14N2O2/c1-19-14-8-4-12(5-9-14)16-18-10-15(20-16)11-2-6-13(17)7-3-11/h2-10H,17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.85 | Datawarrior | 2 » 1 |
| 0.85 | QSARToolbox | 2 » 1 |
| 0.85 | QSARToolbox | 2 » 1 |
| 3.71 | Datawarrior | 1 » 0 |
| 3.71 | OCHEM | 1 » 0 |
| 3.71 | QSARToolbox | 1 » 0 |