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+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.46 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization