Molecule ID: mol20335
SMILES: Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(O)CNC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChI: InChI=1S/C29H35ClFN7O6/c1-16-33-27(34-8-3-2-4-9-34)28(38(43)44)36(16)14-19(39)12-32-17-7-10-35(13-17)25-22(31)11-20-24(23(25)30)37(18-5-6-18)15-21(26(20)40)29(41)42/h11,15,17-19,32,39H,2-10,12-14H2,1H3,(H,41,42)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | Baltruschat ChEMBL | 1 » 0 |