Molecule ID: mol25249

SMILES: Cc1c[nH]c(F)n1

InChI: InChI=1S/C4H5FN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization