Molecule ID: mol1324
SMILES: N#CC(CCN1CCOCC1)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H22N2O/c21-17-20(18-7-3-1-4-8-18,19-9-5-2-6-10-19)11-12-22-13-15-23-16-14-22/h1-10H,11-16H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.04 | IUPAC digitized pKa | 1 » 0 |
| 6.04 | Hunt | 1 » 0 |
| 6.04 | OCHEM | 1 » 0 |
| 6.09 | Datawarrior | 1 » 0 |
| 6.09 | QSARToolbox | 1 » 0 |
| 6.09 | OCHEM | 1 » 0 |
| 6.40 | QSARToolbox | 1 » 0 |