Molecule ID: mol12053

SMILES: NS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)cc1

InChI: InChI=1S/C15H12N4O3S/c16-23(21,22)11-5-3-10(4-6-11)18-19-13-7-8-14(20)15-12(13)2-1-9-17-15/h1-9,20H,(H2,16,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization