Molecule ID: mol18716
SMILES: CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1
InChI: InChI=1S/C20H30Cl2N4O/c1-15(2)26-7-3-4-16(14-26)13-24-8-10-25(11-9-24)20(27)23-17-5-6-18(21)19(22)12-17/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3,(H,23,27)/t16-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.00 | Baltruschat ChEMBL | 1 » 0 |