Molecule ID: mol15402
SMILES: CCCCOc1ccc(OCCCN2CCOCC2)cc1
InChI: InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.24 | QSARToolbox | 1 » 0 |
| 6.24 | OCHEM | 1 » 0 |
| 6.24 | Datawarrior | 1 » 0 |