Molecule ID: mol8256

SMILES: Cn1c(C(F)(F)F)nc2nc(N)nc(O)c21

InChI: InChI=1S/C7H6F3N5O/c1-15-2-3(12-5(15)7(8,9)10)13-6(11)14-4(2)16/h1H3,(H3,11,13,14,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization