Molecule ID: mol28385

SMILES: O=S(=O)(O)Nc1cccc(Cl)c1

InChI: InChI=1S/C6H6ClNO3S/c7-5-2-1-3-6(4-5)8-12(9,10)11/h1-4,8H,(H,9,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.67 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization