Molecule ID: mol21054

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

InChI: InChI=1S/C16H16N6O4/c23-15(9-17-25)19-13-3-1-5-21(11-13)7-8-22-6-2-4-14(12-22)20-16(24)10-18-26/h1-6,9-12H,7-8H2,(H2-2,19,20,23,24,25,26)/p+2

Experimental Macro pKa Values

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