Molecule ID: mol15560

SMILES: COc1ccc(/C=N/c2ncc3nc[nH]c3n2)cc1

InChI: InChI=1S/C13H11N5O/c1-19-10-4-2-9(3-5-10)6-14-13-15-7-11-12(18-13)17-8-16-11/h2-8H,1H3,(H,15,16,17,18)/b14-6+

Experimental Macro pKa Values

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