Molecule ID: mol8258

SMILES: Nc1nc(O)c2[nH]c(C(F)(F)F)nc2n1

InChI: InChI=1S/C6H4F3N5O/c7-6(8,9)4-11-1-2(12-4)13-5(10)14-3(1)15/h(H4,10,11,12,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.23 IUPAC digitized pKa 1 » 0
6.52 IUPAC digitized pKa 0 » -1
11.50 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization