Molecule ID: mol6393

SMILES: COc1ccc(Br)cn1

InChI: InChI=1S/C6H6BrNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.14 QSARToolbox 1 » 0
1.14 IUPAC digitized pKa 1 » 0
1.14 OCHEM 1 » 0
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Charge States and Microspecies Visualization