Molecule ID: mol19893
SMILES: COc1ccc(CCNCC(O)COc2ccc(Cc3nc(C)c[nH]3)cc2)cc1OC
InChI: InChI=1S/C24H31N3O4/c1-17-14-26-24(27-17)13-18-4-7-21(8-5-18)31-16-20(28)15-25-11-10-19-6-9-22(29-2)23(12-19)30-3/h4-9,12,14,20,25,28H,10-11,13,15-16H2,1-3H3,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.01 | Baltruschat ChEMBL | 2 » 1 |