Molecule ID: mol7169

SMILES: COc1ncc(Br)cn1

InChI: InChI=1S/C5H5BrN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.77 IUPAC digitized pKa 1 » 0
-0.77 OCHEM 1 » 0
-0.77 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization