Molecule ID: mol14904
SMILES: CC(C)N/C=N/c1ccc(-c2cn(C)cn2)cc1
InChI: InChI=1S/C14H18N4/c1-11(2)15-9-16-13-6-4-12(5-7-13)14-8-18(3)10-17-14/h4-11H,1-3H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.39 | QSARToolbox | 2 » 1 |
| 5.39 | Datawarrior | 2 » 1 |
| 8.99 | OCHEM | 1 » 0 |
| 8.99 | Datawarrior | 1 » 0 |