Molecule ID: mol15578

SMILES: Cc1ccc(S(=O)(=O)NC(CC(N)=O)C(=O)O)cc1

InChI: InChI=1S/C11H14N2O5S/c1-7-2-4-8(5-3-7)19(17,18)13-9(11(15)16)6-10(12)14/h2-5,9,13H,6H2,1H3,(H2,12,14)(H,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization