Molecule ID: mol7081

SMILES: CNc1nc(N)nc(O)c1NC(=O)C(F)(F)F

InChI: InChI=1S/C7H8F3N5O2/c1-12-3-2(4(16)15-6(11)14-3)13-5(17)7(8,9)10/h1H3,(H,13,17)(H4,11,12,14,15,16)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.53 IUPAC digitized pKa 1 » 0
10.30 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization