Molecule ID: mol13363
SMILES: Cc1cc(C)n(Cc2cc(C)[nH]n2)n1
InChI: InChI=1S/C10H14N4/c1-7-5-10(12-11-7)6-14-9(3)4-8(2)13-14/h4-5H,6H2,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | Datawarrior | 2 » 1 |
| 3.50 | Datawarrior | 1 » 0 |
| 3.50 | OCHEM | 1 » 0 |
| 3.50 | QSARToolbox | 1 » 0 |