Molecule ID: mol35248

SMILES: NCC(OS(=O)(=O)O)c1ccccc1

InChI: InChI=1S/C8H11NO4S/c9-6-8(13-14(10,11)12)7-4-2-1-3-5-7/h1-5,8H,6,9H2,(H,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.52 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization