Molecule ID: mol15619
SMILES: CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C
InChI: InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | QSARToolbox | 1 » 0 |
| 8.07 | OCHEM | 1 » 0 |
| 8.07 | Datawarrior | 1 » 0 |