Molecule ID: mol1326
SMILES: CCCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C23H29NO2/c1-2-9-22(25)23(20-10-5-3-6-11-20,21-12-7-4-8-13-21)14-15-24-16-18-26-19-17-24/h3-8,10-13H,2,9,14-19H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.17 | Datawarrior | 1 » 0 |
| 7.17 | Hunt | 1 » 0 |
| 7.17 | OCHEM | 1 » 0 |
| 7.17 | QSARToolbox | 1 » 0 |
| 7.17 | QSARToolbox | 1 » 0 |
| 7.17 | OCHEM | 1 » 0 |