Molecule ID: mol28792

SMILES: COc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]

InChI: InChI=1S/C14H13N3O6S/c1-23-13-8-7-11(9-12(13)17(19)20)24(21,22)16-14(18)15-10-5-3-2-4-6-10/h2-9H,1H3,(H2,15,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization