Molecule ID: mol3943
SMILES: O=C(Cc1ccccc1)C(CN1CCOCC1)c1ccccc1
InChI: InChI=1S/C20H23NO2/c22-20(15-17-7-3-1-4-8-17)19(18-9-5-2-6-10-18)16-21-11-13-23-14-12-21/h1-10,19H,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.17 | IUPAC digitized pKa | 1 » 0 |
| 6.17 | Datawarrior | 1 » 0 |
| 6.17 | OCHEM | 1 » 0 |
| 6.17 | QSARToolbox | 1 » 0 |
| 6.17 | QSARToolbox | 1 » 0 |
| 6.17 | OCHEM | 1 » 0 |