Molecule ID: mol35551

SMILES: Nc1c2[n+]([O-])cnc-2ncn1Cc1ccccc1

InChI: InChI=1S/C12H11N5O/c13-11-10-12(15-8-17(10)18)14-7-16(11)6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2

Experimental Macro pKa Values

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