Molecule ID: mol36273
SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCO3)c(C(F)(F)F)c1
InChI: InChI=1S/C22H23F3N4O9/c23-22(24,25)17-12-16(28(30)31)13-18(29(32)33)21(17)27-26-14-15-1-2-19-20(11-15)38-10-8-36-6-4-34-3-5-35-7-9-37-19/h1-2,11-14,27H,3-10H2/b26-14+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.46 | QSARToolbox | 0 » -1 |