Molecule ID: mol14867
SMILES: CCN(CC)C(C)C(=O)Nc1c(C)cccc1C
InChI: InChI=1S/C15H24N2O/c1-6-17(7-2)13(5)15(18)16-14-11(3)9-8-10-12(14)4/h8-10,13H,6-7H2,1-5H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.93 | OCHEM | 1 » 0 |
| 7.93 | Baltruschat ChEMBL | 1 » 0 |
| 8.11 | OCHEM | 1 » 0 |
| 8.11 | Datawarrior | 1 » 0 |
| 8.12 | Baltruschat ChEMBL | 1 » 0 |