Molecule ID: mol19548
SMILES: NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1cnccn1
InChI: InChI=1S/C40H48N4O6/c41-19-10-3-11-22-45-29-36-37(49-28-33-25-42-20-21-43-33)38(47-26-30-12-4-1-5-13-30)39(48-27-31-14-6-2-7-15-31)40(50-36)46-23-18-32-24-44-35-17-9-8-16-34(32)35/h1-2,4-9,12-17,20-21,24-25,36-40,44H,3,10-11,18-19,22-23,26-29,41H2/t36-,37-,38+,39-,40-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.70 | Baltruschat ChEMBL | 2 » 1 |