Molecule ID: mol17496
SMILES: CCc1cccc2cc(C(O)CNC(C)(C)C)oc12
InChI: InChI=1S/C16H23NO2/c1-5-11-7-6-8-12-9-14(19-15(11)12)13(18)10-17-16(2,3)4/h6-9,13,17-18H,5,10H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Baltruschat ChEMBL | 1 » 0 |
| 8.97 | QSARToolbox | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 1 » 0 |
| 14.30 | Baltruschat ChEMBL | 0 » -1 |