Molecule ID: mol19547
SMILES: NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccn1
InChI: InChI=1S/C41H49N3O6/c42-22-11-3-13-24-45-30-37-38(49-29-34-18-10-12-23-43-34)39(47-27-31-14-4-1-5-15-31)40(48-28-32-16-6-2-7-17-32)41(50-37)46-25-21-33-26-44-36-20-9-8-19-35(33)36/h1-2,4-10,12,14-20,23,26,37-41,44H,3,11,13,21-22,24-25,27-30,42H2/t37-,38-,39+,40-,41-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 2 » 1 |