Molecule ID: mol37386

SMILES: O=C1C=CC(=Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)C=C1

InChI: InChI=1S/C16H11NO5S/c18-11-7-5-10(6-8-11)17-14-9-15(23(20,21)22)16(19)13-4-2-1-3-12(13)14/h1-9,19H,(H,20,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization