Molecule ID: mol7160

SMILES: CCOc1ncc(Br)cn1

InChI: InChI=1S/C6H7BrN2O/c1-2-10-6-8-3-5(7)4-9-6/h3-4H,2H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.72 OCHEM 1 » 0
-0.42 IUPAC digitized pKa 1 » 0
-0.42 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization