Molecule ID: mol20325
SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CC(O)Cn4c([N+](=O)[O-])cnc4C)CC3)cc21
InChI: InChI=1S/C23H27FN6O6/c1-3-27-13-17(23(33)34)22(32)16-8-18(24)20(9-19(16)27)28-6-4-26(5-7-28)11-15(31)12-29-14(2)25-10-21(29)30(35)36/h8-10,13,15,31H,3-7,11-12H2,1-2H3,(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.57 | Baltruschat ChEMBL | 0 » -1 |