Molecule ID: mol14907
SMILES: CC(C)N/C=N/c1ccc(-c2cncn2C)cc1
InChI: InChI=1S/C14H18N4/c1-11(2)16-9-17-13-6-4-12(5-7-13)14-8-15-10-18(14)3/h4-11H,1-3H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.51 | Datawarrior | 2 » 1 |
| 6.51 | QSARToolbox | 2 » 1 |
| 8.83 | OCHEM | 1 » 0 |
| 8.83 | Datawarrior | 1 » 0 |