Molecule ID: mol16884
SMILES: COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc5c(c4)OCO5)ccc23)c1O
InChI: InChI=1S/C28H29N3O4/c1-33-26-5-2-4-21(28(26)32)17-29-11-3-12-30-23-10-13-31-24-15-19(6-8-22(23)24)14-20-7-9-25-27(16-20)35-18-34-25/h2,4-10,13,15-16,29,32H,3,11-12,14,17-18H2,1H3,(H,30,31)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | Baltruschat ChEMBL | 1 » 0 |