Molecule ID: mol16288
SMILES: CN1CCOC(c2ccccc2)c2ccccc2C1
InChI: InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.34 | AttenGpKa training set | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |