Molecule ID: mol12142

SMILES: O=S(=O)(O)c1ccc2c(O)ccc(N=Nc3ccc(Cl)cc3)c2c1

InChI: InChI=1S/C16H11ClN2O4S/c17-10-1-3-11(4-2-10)18-19-15-7-8-16(20)13-6-5-12(9-14(13)15)24(21,22)23/h1-9,20H,(H,21,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization