Molecule ID: mol34414

SMILES: O=C(O)c1cccnc1S

InChI: InChI=1S/C6H5NO2S/c8-6(9)4-2-1-3-7-5(4)10/h1-3H,(H,7,10)(H,8,9)

Experimental Macro pKa Values

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