Molecule ID: mol20285
SMILES: Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC(C)c1cccc(C(C)C)c1)NC2=O
InChI: InChI=1S/C32H41N3O4/c1-21(2)25-10-8-11-26(18-25)23(4)33-20-30(36)29-17-24-9-7-12-28(16-24)38-13-5-6-14-39-31-19-27(32(37)35-29)15-22(3)34-31/h7-12,15-16,18-19,21,23,29-30,33,36H,5-6,13-14,17,20H2,1-4H3,(H,35,37)/t23?,29-,30+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | 1 » 0 |