Molecule ID: mol15067
SMILES: c1cc(N2CCOCC2)c2c(N3CCOCC3)cccc2c1
InChI: InChI=1S/C18H22N2O2/c1-3-15-4-2-6-17(20-9-13-22-14-10-20)18(15)16(5-1)19-7-11-21-12-8-19/h1-6H,7-14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.49 | QSARToolbox | 1 » 0 |
| 7.49 | QSARToolbox | 1 » 0 |
| 7.49 | OCHEM | 1 » 0 |
| 7.49 | Datawarrior | 1 » 0 |
| 7.49 | AttenGpKa training set | 1 » 0 |
| 7.51 | QSARToolbox | 1 » 0 |