Molecule ID: mol14743
SMILES: CN(C)CCOC(C)(c1ccccc1)c1ccccn1
InChI: InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | OCHEM | 1 » 0 |
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | Datawarrior | 1 » 0 |
| 9.20 | AttenGpKa training set | 1 » 0 |