Molecule ID: mol1327
SMILES: CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C22H27NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.95 | QSARToolbox | 1 » 0 |
| 6.95 | IUPAC digitized pKa | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.95 | Hunt | 1 » 0 |
| 6.95 | OCHEM | 1 » 0 |
| 6.96 | IUPAC digitized pKa | 1 » 0 |
| 6.96 | QSARToolbox | 1 » 0 |
| 6.96 | QSARToolbox | 1 » 0 |
| 6.98 | Datawarrior | 1 » 0 |
| 6.98 | OCHEM | 1 » 0 |
| 7.00 | QSARToolbox | 1 » 0 |