Molecule ID: mol10772

SMILES: O=C(O)CS(=O)(=O)c1cccc([N+](=O)[O-])c1

InChI: InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-3-1-2-6(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
2.36 QSARToolbox 0 » -1
2.36 QSARToolbox 0 » -1
2.36 QSARToolbox 0 » -1
2.36 IUPAC digitized pKa 0 » -1
2.36 OCHEM 0 » -1
2.36 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization