Molecule ID: mol35727

SMILES: O=C(CS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C14H11NO5S/c16-14(11-6-8-12(9-7-11)15(17)18)10-21(19,20)13-4-2-1-3-5-13/h1-9H,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization