Molecule ID: mol21820
SMILES: CCC(=O)OC1(c2ccccc2)CCN(C)CC1C
InChI: InChI=1S/C16H23NO2/c1-4-15(18)19-16(14-8-6-5-7-9-14)10-11-17(3)12-13(16)2/h5-9,13H,4,10-12H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.46 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.66 | OCHEM | 1 » 0 |