Molecule ID: mol2452
SMILES: O=C(CCN1CCOCC1)C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H23NO2/c22-19(11-12-21-13-15-23-16-14-21)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.39 | QSARToolbox | 1 » 0 |
| 6.39 | QSARToolbox | 1 » 0 |
| 6.39 | OCHEM | 1 » 0 |
| 6.39 | IUPAC digitized pKa | 1 » 0 |
| 6.39 | Datawarrior | 1 » 0 |
| 6.39 | Hunt | 1 » 0 |
| 6.39 | OCHEM | 1 » 0 |