Molecule ID: mol7090

SMILES: COc1ncncc1N

InChI: InChI=1S/C5H7N3O/c1-9-5-4(6)2-7-3-8-5/h2-3H,6H2,1H3

Experimental Macro pKa Values

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