Molecule ID: mol16870
SMILES: CN(C)c1cccc(Oc2ccc3c(NCCCNCc4ccc5c(c4)OCO5)ccnc3c2)c1
InChI: InChI=1S/C28H30N4O3/c1-32(2)21-5-3-6-22(16-21)35-23-8-9-24-25(11-14-31-26(24)17-23)30-13-4-12-29-18-20-7-10-27-28(15-20)34-19-33-27/h3,5-11,14-17,29H,4,12-13,18-19H2,1-2H3,(H,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.28 | Baltruschat ChEMBL | 1 » 0 |