Molecule ID: mol24085

SMILES: Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(F)(F)F

InChI: InChI=1S/C10H9F3N2O3/c1-5-3-4-7(15(17)18)6(2)8(5)14-9(16)10(11,12)13/h3-4H,1-2H3,(H,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization