Molecule ID: mol28365

SMILES: N#Cc1ccc(OS(N)(=O)=O)cc1

InChI: InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization