Molecule ID: mol15480
SMILES: CCC(=O)O[C@@]1(c2ccccc2)CCN(C)C[C@H]1C
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/t13-,16+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | QSARToolbox | 1 » 0 |
| 8.66 | Datawarrior | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |
| 8.73 | QSARToolbox | 1 » 0 |