Molecule ID: mol19883
SMILES: COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C(C)=O)c[nH]3)cc2)cc1OC
InChI: InChI=1S/C24H29N3O5/c1-16(28)21-14-26-24(27-21)18-5-7-20(8-6-18)32-15-19(29)13-25-11-10-17-4-9-22(30-2)23(12-17)31-3/h4-9,12,14,19,25,29H,10-11,13,15H2,1-3H3,(H,26,27)/t19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.60 | Baltruschat ChEMBL | 2 » 1 |