Molecule ID: mol5315

SMILES: Nc1ccccc1S(=O)(=O)O

InChI: InChI=1S/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.22 QSARToolbox 0 » -1
2.32 IUPAC digitized pKa 0 » -1
2.34 IUPAC digitized pKa 0 » -1
2.34 QSARToolbox 0 » -1
2.35 QSARToolbox 0 » -1
2.36 IUPAC digitized pKa 0 » -1
2.38 IUPAC digitized pKa 0 » -1
2.40 AttenGpKa training set 0 » -1
2.40 IUPAC digitized pKa 0 » -1
2.43 IUPAC digitized pKa 0 » -1
2.46 IUPAC digitized pKa 0 » -1
2.46 OCHEM 0 » -1
2.46 OCHEM 0 » -1
2.46 QSARToolbox 0 » -1
2.49 IUPAC digitized pKa 0 » -1
2.49 IUPAC digitized pKa 0 » -1
2.52 IUPAC digitized pKa 0 » -1
2.56 IUPAC digitized pKa 0 » -1
2.59 IUPAC digitized pKa 0 » -1
2.63 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization