Molecule ID: mol8243

SMILES: Cn1c(N)nc2nc(C(F)(F)F)[nH]c2c1=O

InChI: InChI=1S/C7H6F3N5O/c1-15-4(16)2-3(14-6(15)11)13-5(12-2)7(8,9)10/h1H3,(H2,11,14)(H,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.45 IUPAC digitized pKa 1 » 0
6.87 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization