Molecule ID: mol28789

SMILES: Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1

InChI: InChI=1S/C15H15N3O5S/c1-10-3-6-12(7-4-10)16-15(19)17-24(22,23)13-8-5-11(2)14(9-13)18(20)21/h3-9H,1-2H3,(H2,16,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization