Molecule ID: mol12979

SMILES: CCOc1nccc(O)n1

InChI: InChI=1S/C6H8N2O2/c1-2-10-6-7-4-3-5(9)8-6/h3-4H,2H2,1H3,(H,7,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.00 QSARToolbox 1 » 0
8.20 OCHEM 0 » -1
8.20 Datawarrior 0 » -1
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Charge States and Microspecies Visualization