Molecule ID: mol28804

SMILES: O=C(NCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(Cl)cc1

InChI: InChI=1S/C14H12Cl2N2O3S/c15-11-3-1-10(2-4-11)9-17-14(19)18-22(20,21)13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization