Molecule ID: mol21831
SMILES: CC1C(c2ccccc2)OC(O)(c2ccccc2)CN1C
InChI: InChI=1S/C18H21NO2/c1-14-17(15-9-5-3-6-10-15)21-18(20,13-19(14)2)16-11-7-4-8-12-16/h3-12,14,17,20H,13H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.68 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |