Molecule ID: mol21055

SMILES: O=C(/C=N\O)Nc1ccc[n+](CCC[n+]2cccc(NC(=O)/C=N\O)c2)c1

InChI: InChI=1S/C17H18N6O4/c24-16(10-18-26)20-14-4-1-6-22(12-14)8-3-9-23-7-2-5-15(13-23)21-17(25)11-19-27/h1-2,4-7,10-13H,3,8-9H2,(H2-2,20,21,24,25,26,27)/p+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.17 OCHEM 2 » 1
8.17 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization