Molecule ID: mol23985

SMILES: O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)F

InChI: InChI=1S/C8H5F3N2O3/c9-8(10,11)7(14)12-5-2-1-3-6(4-5)13(15)16/h1-4H,(H,12,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.20 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization