Molecule ID: mol16896
SMILES: c1ccc2c(-c3ccc4c(NCCCNCc5ccc6c(c5)OCO6)ccnc4c3)cccc2c1
InChI: InChI=1S/C30H27N3O2/c1-2-7-24-22(5-1)6-3-8-25(24)23-10-11-26-27(13-16-33-28(26)18-23)32-15-4-14-31-19-21-9-12-29-30(17-21)35-20-34-29/h1-3,5-13,16-18,31H,4,14-15,19-20H2,(H,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.47 | Baltruschat ChEMBL | 1 » 0 |