Molecule ID: mol2978
SMILES: O=C(NCc1ccc(Cl)cc1)c1cn2c(CCO)cc3cc(CN4CCOCC4)cc(c1=O)c32
InChI: InChI=1S/C26H26ClN3O4/c27-20-3-1-17(2-4-20)14-28-26(33)23-16-30-21(5-8-31)13-19-11-18(12-22(24(19)30)25(23)32)15-29-6-9-34-10-7-29/h1-4,11-13,16,31H,5-10,14-15H2,(H,28,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | Novartis | 1 » 0 |