Molecule ID: mol3941
SMILES: CC(=O)C(CN1CCOCC1)c1ccccc1
InChI: InChI=1S/C14H19NO2/c1-12(16)14(13-5-3-2-4-6-13)11-15-7-9-17-10-8-15/h2-6,14H,7-11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.23 | IUPAC digitized pKa | 1 » 0 |
| 6.23 | Datawarrior | 1 » 0 |
| 6.23 | OCHEM | 1 » 0 |
| 6.23 | OCHEM | 1 » 0 |
| 6.23 | QSARToolbox | 1 » 0 |
| 6.23 | QSARToolbox | 1 » 0 |