Molecule ID: mol21712

SMILES: CNC(=O)c1ccc(Br)c(C)c1O

InChI: InChI=1S/C9H10BrNO2/c1-5-7(10)4-3-6(8(5)12)9(13)11-2/h3-4,12H,1-2H3,(H,11,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.52 Organic Oxygen Acids and Nitrogen Bases 0 » -1
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Charge States and Microspecies Visualization