Molecule ID: mol37035

SMILES: O=C(O)CSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1

InChI: InChI=1S/C15H12N4O2S/c20-14(21)11-22-15-16-18(12-7-3-1-4-8-12)19(17-15)13-9-5-2-6-10-13/h1-10H,11H2/p+1

Experimental Macro pKa Values

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