Molecule ID: mol14906
SMILES: CC(C)N(C)/C=N/c1ccc(-c2c[nH]cn2)cc1
InChI: InChI=1S/C14H18N4/c1-11(2)18(3)10-17-13-6-4-12(5-7-13)14-8-15-9-16-14/h4-11H,1-3H3,(H,15,16)/b17-10+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.52 | QSARToolbox | 2 » 1 |
| 5.52 | Datawarrior | 2 » 1 |
| 8.72 | Datawarrior | 1 » 0 |