Molecule ID: mol38520

SMILES: CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O

InChI: InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)

Experimental Macro pKa Values

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