Molecule ID: mol20336
SMILES: Cc1nc(N2CCOCC2)c([N+](=O)[O-])n1CC(O)CNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChI: InChI=1S/C28H33ClFN7O7/c1-15-32-26(33-6-8-44-9-7-33)27(37(42)43)35(15)13-18(38)11-31-16-4-5-34(12-16)24-21(30)10-19-23(22(24)29)36(17-2-3-17)14-20(25(19)39)28(40)41/h10,14,16-18,31,38H,2-9,11-13H2,1H3,(H,40,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | Baltruschat ChEMBL | 1 » 0 |