Molecule ID: mol36831

SMILES: CC(Sc1nn(-c2ccccc2)[n+](-c2ccccc2)n1)C(=O)O

InChI: InChI=1S/C16H14N4O2S/c1-12(15(21)22)23-16-17-19(13-8-4-2-5-9-13)20(18-16)14-10-6-3-7-11-14/h2-12H,1H3/p+1

Experimental Macro pKa Values

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