Molecule ID: mol15310
SMILES: CC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccccc3)c3ccccc3[C@@H]2C1
InChI: InChI=1S/C23H29NO/c1-22(2,3)23(25)13-14-24-16-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21(24)15-23/h4-12,20-21,25H,13-16H2,1-3H3/t20-,21-,23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.03 | Datawarrior | 1 » 0 |
| 7.03 | OCHEM | 1 » 0 |
| 7.03 | QSARToolbox | 1 » 0 |