Molecule ID: mol16585
SMILES: Cc1ccccc1C(OCCN(C)C)c1ccccc1
InChI: InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | Baltruschat ChEMBL | 1 » 0 |
| 8.40 | AttenGpKa training set | 1 » 0 |
| 8.91 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.91 | OCHEM | 1 » 0 |