Molecule ID: mol7293

SMILES: CN(C(=O)C(F)(F)F)c1c(N)nc(N)nc1O

InChI: InChI=1S/C7H8F3N5O2/c1-15(5(17)7(8,9)10)2-3(11)13-6(12)14-4(2)16/h1H3,(H5,11,12,13,14,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.19 IUPAC digitized pKa 1 » 0
9.90 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization