Molecule ID: mol7003

SMILES: Nc1ncc(Br)c(O)n1

InChI: InChI=1S/C4H4BrN3O/c5-2-1-7-4(6)8-3(2)9/h1H,(H3,6,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.56 IUPAC digitized pKa 1 » 0
8.05 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization