Molecule ID: mol28764

SMILES: O=C(NCc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1

InChI: InChI=1S/C14H13N3O5S/c18-14(15-10-11-4-2-1-3-5-11)16-23(21,22)13-8-6-12(7-9-13)17(19)20/h1-9H,10H2,(H2,15,16,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization