Molecule ID: mol19873
SMILES: COc1ccc(CCNCC(O)COc2ccc(OCc3ncc[nH]3)cc2)cc1OC
InChI: InChI=1S/C23H29N3O5/c1-28-21-8-3-17(13-22(21)29-2)9-10-24-14-18(27)15-30-19-4-6-20(7-5-19)31-16-23-25-11-12-26-23/h3-8,11-13,18,24,27H,9-10,14-16H2,1-2H3,(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.20 | Baltruschat ChEMBL | 2 » 1 |