Molecule ID: mol34516

SMILES: N#CNC(=O)Nc1ccc(Br)cc1

InChI: InChI=1S/C8H6BrN3O/c9-6-1-3-7(4-2-6)12-8(13)11-5-10/h1-4H,(H2,11,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.62 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization