Molecule ID: mol19950
SMILES: CN[C@@H]1CCN(c2ccnc(NC(C)C)c2)C1
InChI: InChI=1S/C13H22N4/c1-10(2)16-13-8-12(4-6-15-13)17-7-5-11(9-17)14-3/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,15,16)/t11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | OCHEM | 2 » 1 |
| 6.60 | Baltruschat ChEMBL | 2 » 1 |