Molecule ID: mol18629
SMILES: COc1c(OCCCCN2CCOCC2)cc2oc3cc(OCCCCN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C
InChI: InChI=1S/C40H56N2O8/c1-28(2)10-12-30-32(48-20-8-6-14-41-16-22-46-23-17-41)26-34-37(38(30)43)39(44)36-31(13-11-29(3)4)40(45-5)35(27-33(36)50-34)49-21-9-7-15-42-18-24-47-25-19-42/h10-11,26-27,43H,6-9,12-25H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.36 | OCHEM | 1 » 0 |
| 8.36 | Baltruschat ChEMBL | 1 » 0 |