Molecule ID: mol36897

SMILES: O=C(O)CCSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1

InChI: InChI=1S/C16H14N4O2S/c21-15(22)11-12-23-16-17-19(13-7-3-1-4-8-13)20(18-16)14-9-5-2-6-10-14/h1-10H,11-12H2/p+1

Experimental Macro pKa Values

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