Molecule ID: mol19868
SMILES: COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC
InChI: InChI=1S/C25H31N3O5/c1-17(29)22-15-27-25(28-22)13-18-4-7-21(8-5-18)33-16-20(30)14-26-11-10-19-6-9-23(31-2)24(12-19)32-3/h4-9,12,15,20,26,30H,10-11,13-14,16H2,1-3H3,(H,27,28)/t20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | Baltruschat ChEMBL | 2 » 1 |