Molecule ID: mol26439

SMILES: Fc1cc(F)c2[nH]cnc2c1F

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization