Molecule ID: mol15596
SMILES: COc1ccc(N)cc1C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChI: InChI=1S/C22H27N3O2/c1-27-21-10-7-16(23)11-20(21)22(26)24-17-12-18-8-9-19(13-17)25(18)14-15-5-3-2-4-6-15/h2-7,10-11,17-19H,8-9,12-14,23H2,1H3,(H,24,26)/t17-,18-,19+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.86 | QSARToolbox | 1 » 0 |
| 8.86 | Datawarrior | 1 » 0 |