Molecule ID: mol20075
SMILES: COc1cc(C(=O)N[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OC
InChI: InChI=1S/C20H30N2O4/c1-22-9-8-13-6-5-7-16(15(13)12-22)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h10-11,13,15-16H,5-9,12H2,1-4H3,(H,21,23)/t13-,15-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | Baltruschat ChEMBL | 1 » 0 |