Molecule ID: mol7295

SMILES: Nc1nc(N)c(NC(=O)C(F)(F)F)c(O)n1

InChI: InChI=1S/C6H6F3N5O2/c7-6(8,9)4(16)12-1-2(10)13-5(11)14-3(1)15/h(H,12,16)(H5,10,11,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization