Molecule ID: mol19551
SMILES: NCCCCCOC[C@H]1O[C@@H](OCCc2c[nH]c3ccccc23)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1c[nH]cn1
InChI: InChI=1S/C39H48N4O6/c40-19-10-3-11-20-44-27-35-36(48-26-32-23-41-28-43-32)37(46-24-29-12-4-1-5-13-29)38(47-25-30-14-6-2-7-15-30)39(49-35)45-21-18-31-22-42-34-17-9-8-16-33(31)34/h1-2,4-9,12-17,22-23,28,35-39,42H,3,10-11,18-21,24-27,40H2,(H,41,43)/t35-,36-,37+,38-,39-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 2 » 1 |