Molecule ID: mol4084

SMILES: Nc1nc(O)ncc1F

InChI: InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.83 IUPAC digitized pKa 1 » 0
2.90 AttenGpKa training set 1 » 0
10.71 AttenGpKa training set 0 » -1
10.87 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization