Molecule ID: mol32197

SMILES: COc1ccc(-c2csc(NC(=O)C[n+]3cccc(/C=N/O)c3)n2)cc1

InChI: InChI=1S/C18H16N4O3S/c1-25-15-6-4-14(5-7-15)16-12-26-18(20-16)21-17(23)11-22-8-2-3-13(10-22)9-19-24/h2-10,12H,11H2,1H3,(H-,20,21,23,24)/p+1/b19-9+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.92 OCHEM 0 » -1
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Charge States and Microspecies Visualization