Molecule ID: mol18634
SMILES: CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
InChI: InChI=1S/C40H60N2O6/c1-10-41(11-2)22-14-16-24-46-32-26-34-37(38(43)30(32)20-18-28(5)6)39(44)36-31(21-19-29(7)8)40(45-9)35(27-33(36)48-34)47-25-17-15-23-42(12-3)13-4/h18-19,26-27,43H,10-17,20-25H2,1-9H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.98 | OCHEM | 0 » -1 |
| 10.98 | Baltruschat ChEMBL | 0 » -1 |