Molecule ID: mol21057

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

InChI: InChI=1S/C19H22N6O4/c26-18(12-20-28)22-16-6-4-10-24(14-16)8-2-1-3-9-25-11-5-7-17(15-25)23-19(27)13-21-29/h4-7,10-15H,1-3,8-9H2,(H2-2,22,23,26,27,28,29)/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