Molecule ID: mol36455

SMILES: CN1C(=O)/C(=N/NC(N)=S)c2cc(S(=O)(=O)O)ccc21

InChI: InChI=1S/C10H10N4O4S2/c1-14-7-3-2-5(20(16,17)18)4-6(7)8(9(14)15)12-13-10(11)19/h2-4H,1H3,(H3,11,13,19)(H,16,17,18)/b12-8+

Experimental Macro pKa Values

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