Molecule ID: mol35951

SMILES: [O-][n+]1c[nH]c2ncnc(NCc3ccccc3)c21

InChI: InChI=1S/C12H11N5O/c18-17-8-16-12-10(17)11(14-7-15-12)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15,16)

Experimental Macro pKa Values

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