Molecule ID: mol31908

SMILES: CN1/C(=C(\O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O

InChI: InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-

Experimental Macro pKa Values

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