Molecule ID: mol36216

SMILES: O=C(Nc1ccccc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1

InChI: InChI=1S/C19H13ClN2O6S/c20-14-5-3-4-13(12-14)19(23)21-17-6-1-2-7-18(17)29(26,27)28-16-10-8-15(9-11-16)22(24)25/h1-12H,(H,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization