Molecule ID: mol36018

SMILES: Cc1ncc(CO)c(/C=N/Nc2ccccn2)c1O

InChI: InChI=1S/C13H14N4O2/c1-9-13(19)11(10(8-18)6-15-9)7-16-17-12-4-2-3-5-14-12/h2-7,18-19H,8H2,1H3,(H,14,17)/b16-7+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.62 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization