Molecule ID: mol14682
SMILES: COc1ccc(-c2cnc(-c3ccc(N)cc3)o2)cc1
InChI: InChI=1S/C16H14N2O2/c1-19-14-8-4-11(5-9-14)15-10-18-16(20-15)12-2-6-13(17)7-3-12/h2-10H,17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.27 | Datawarrior | 2 » 1 |
| 0.27 | QSARToolbox | 2 » 1 |
| 0.27 | QSARToolbox | 2 » 1 |
| 3.22 | Datawarrior | 1 » 0 |
| 3.22 | OCHEM | 1 » 0 |
| 3.22 | QSARToolbox | 1 » 0 |