Molecule ID: mol12177

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3nc4ccccc4s3)c(O)ccc2c1

InChI: InChI=1S/C17H11N3O4S2/c21-14-8-5-10-9-11(26(22,23)24)6-7-12(10)16(14)19-20-17-18-13-3-1-2-4-15(13)25-17/h1-9,21H,(H,22,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization