Molecule ID: mol3788
SMILES: C(=C/c1ccncc1)\c1ccccc1
InChI: InChI=1S/C13H11N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-11H/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.88 | QSARToolbox | 1 » 0 |
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | Datawarrior | 1 » 0 |