Molecule ID: mol10773

SMILES: O=C(O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.33 QSARToolbox 0 » -1
2.33 QSARToolbox 0 » -1
2.33 QSARToolbox 0 » -1
2.33 IUPAC digitized pKa 0 » -1
2.33 OCHEM 0 » -1
2.33 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization