Molecule ID: mol16154
SMILES: COc1cc2c(cc1OC)[C@H](CCC[C@H]1c3cc(OC)c(OC)cc3CCN1C)N(C)CC2
InChI: InChI=1S/C27H38N2O4/c1-28-12-10-18-14-24(30-3)26(32-5)16-20(18)22(28)8-7-9-23-21-17-27(33-6)25(31-4)15-19(21)11-13-29(23)2/h14-17,22-23H,7-13H2,1-6H3/t22-,23-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | Baltruschat ChEMBL | 2 » 1 |