Molecule ID: mol11910

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3nccs3)c(O)ccc2c1

InChI: InChI=1S/C13H9N3O4S2/c17-11-4-1-8-7-9(22(18,19)20)2-3-10(8)12(11)15-16-13-14-5-6-21-13/h1-7,17H,(H,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.38 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization