Molecule ID: mol4104

SMILES: Nc1ncncc1NC(=O)C(F)(F)F

InChI: InChI=1S/C6H5F3N4O/c7-6(8,9)5(14)13-3-1-11-2-12-4(3)10/h1-2H,(H,13,14)(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization