Molecule ID: mol36215

SMILES: O=C(Nc1ccccc1S(=O)(=O)Oc1cccc(Cl)c1)c1ccccc1

InChI: InChI=1S/C19H14ClNO4S/c20-15-9-6-10-16(13-15)25-26(23,24)18-12-5-4-11-17(18)21-19(22)14-7-2-1-3-8-14/h1-13H,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization