Molecule ID: mol4826

SMILES: COc1cnc2cncnc2n1

InChI: InChI=1S/C7H6N4O/c1-12-6-3-9-5-2-8-4-10-7(5)11-6/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.64 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization