Molecule ID: mol18632
SMILES: CCN(CC)CCCCCCOc1cc2oc3cc(OCCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C
InChI: InChI=1S/C44H68N2O6/c1-10-45(11-2)26-18-14-16-20-28-50-36-30-38-41(42(47)34(36)24-22-32(5)6)43(48)40-35(25-23-33(7)8)44(49-9)39(31-37(40)52-38)51-29-21-17-15-19-27-46(12-3)13-4/h22-23,30-31,47H,10-21,24-29H2,1-9H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.98 | OCHEM | 0 » -1 |
| 10.98 | Baltruschat ChEMBL | 0 » -1 |