Molecule ID: mol35347

SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3SC(=S)N(Nc4ccccc4)C3=O)cc2)n1

InChI: InChI=1S/C21H19N7O3S3/c1-13-12-14(2)23-20(22-13)27-34(30,31)17-10-8-15(9-11-17)24-25-18-19(29)28(21(32)33-18)26-16-6-4-3-5-7-16/h3-12,18,26H,1-2H3,(H,22,23,27)

Experimental Macro pKa Values

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