Molecule ID: mol14545
SMILES: COc1ccc(Nc2ccc(N)cc2)cc1
InChI: InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | Datawarrior | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |