Molecule ID: mol26440

SMILES: Fc1cc2nc[nH]c2c(F)c1F

InChI: InChI=1S/C7H3F3N2/c8-3-1-4-7(12-2-11-4)6(10)5(3)9/h1-2H,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization