Molecule ID: mol3951
SMILES: CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN1CCOCC1
InChI: InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)19(2)18-24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.12 | QSARToolbox | 1 » 0 |
| 7.12 | QSARToolbox | 1 » 0 |
| 7.12 | OCHEM | 1 » 0 |
| 7.12 | IUPAC digitized pKa | 1 » 0 |
| 7.12 | Datawarrior | 1 » 0 |
| 7.12 | OCHEM | 1 » 0 |