Molecule ID: mol36614

SMILES: COC(=O)NS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

InChI: InChI=1S/C8H7N3O9S/c1-19-8(12)9-21(17,18)20-7-3-2-5(10(13)14)4-6(7)11(15)16/h2-4H,1H3,(H,9,12)

Experimental Macro pKa Values

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