Molecule ID: mol51
SMILES: CC(Cc1ccc(C(C)(C)C)cc1)CN1CC(C)OC(C)C1
InChI: InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.98 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.16 | AttenGpKa training set | 1 » 0 |
| 7.34 | AvLiLuMoVe | 1 » 0 |
| 7.34 | Settimo | 1 » 0 |