Molecule ID: mol18899

SMILES: O=[N+]([O-])c1ncn(CCCNc2ccnc3cccnc23)n1

InChI: InChI=1S/C13H13N7O2/c21-20(22)13-17-9-19(18-13)8-2-6-14-11-4-7-15-10-3-1-5-16-12(10)11/h1,3-5,7,9H,2,6,8H2,(H,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.81 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization