Molecule ID: mol8105
SMILES: CCN1CC2=C(N=C1O)N(Cc1ccccc1)C(C)C(C)=N2
InChI: InChI=1S/C17H22N4O/c1-4-20-11-15-16(19-17(20)22)21(13(3)12(2)18-15)10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H,19,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.15 | IUPAC digitized pKa | 2 » 1 |
| 0.95 | IUPAC digitized pKa | 1 » 0 |