Molecule ID: mol19539
SMILES: c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1
InChI: InChI=1S/C16H24N4/c1-2-4-10-20(9-3-1)15-11-14(17-13-7-8-13)18-16(19-15)12-5-6-12/h11-13H,1-10H2,(H,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.03 | Baltruschat ChEMBL | 1 » 0 |