Molecule ID: mol12139

SMILES: O=S(=O)(O)c1cc2ccccc2c(O)c1N=Nc1ccc(Cl)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization