Molecule ID: mol20079
SMILES: COc1cc(C(=O)O[C@@H]2CCC[C@@H]3CCN(C)C[C@H]32)cc(OC)c1OC
InChI: InChI=1S/C20H29NO5/c1-21-9-8-13-6-5-7-16(15(13)12-21)26-20(22)14-10-17(23-2)19(25-4)18(11-14)24-3/h10-11,13,15-16H,5-9,12H2,1-4H3/t13-,15-,16-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.82 | Baltruschat ChEMBL | 1 » 0 |