Molecule ID: mol17111
SMILES: CC(Cl)/C=C/C(=O)N(Cc1ccc(C#N)cc1)CC(C)C
InChI: InChI=1S/C17H21ClN2O/c1-13(2)11-20(17(21)9-4-14(3)18)12-16-7-5-15(10-19)6-8-16/h4-9,13-14H,11-12H2,1-3H3/b9-4+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.82 | Baltruschat ChEMBL | 1 » 0 |