Molecule ID: mol16750
SMILES: CCC(C(=O)Nc1c(C)cccc1C)N(CC)CC
InChI: InChI=1S/C16H26N2O/c1-6-14(18(7-2)8-3)16(19)17-15-12(4)10-9-11-13(15)5/h9-11,14H,6-8H2,1-5H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.91 | Baltruschat ChEMBL | 1 » 0 |