Molecule ID: mol36256

SMILES: CN(C)c1c(OS(=O)(=O)O)ccc2ccccc12

InChI: InChI=1S/C12H13NO4S/c1-13(2)12-10-6-4-3-5-9(10)7-8-11(12)17-18(14,15)16/h3-8H,1-2H3,(H,14,15,16)

Experimental Macro pKa Values

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