Molecule ID: mol25330

SMILES: FC(F)(F)c1c[nH]cn1

InChI: InChI=1S/C4H3F3N2/c5-4(6,7)3-1-8-2-9-3/h1-2H,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization