Molecule ID: mol15694
SMILES: Cc1cc(C)n(Cc2cc(C)n(C)n2)n1
InChI: InChI=1S/C11H16N4/c1-8-5-10(3)15(12-8)7-11-6-9(2)14(4)13-11/h5-6H,7H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.60 | Datawarrior | 2 » 1 |
| 3.39 | Datawarrior | 1 » 0 |
| 3.39 | OCHEM | 1 » 0 |
| 3.39 | QSARToolbox | 1 » 0 |