Molecule ID: mol36272

SMILES: O=[N+]([O-])c1cc([N+](=O)[O-])c(N/N=C/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)c(C(F)(F)F)c1

InChI: InChI=1S/C24H27F3N4O10/c25-24(26,27)19-14-18(30(32)33)15-20(31(34)35)23(19)29-28-16-17-1-2-21-22(13-17)41-12-10-39-8-6-37-4-3-36-5-7-38-9-11-40-21/h1-2,13-16,29H,3-12H2/b28-16+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization