Molecule ID: mol12144

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3c(O)cccc3Cl)c(O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C16H11ClN2O8S2/c17-11-2-1-3-12(20)15(11)19-18-14-10-5-4-9(28(22,23)24)6-8(10)7-13(16(14)21)29(25,26)27/h1-7,20-21H,(H,22,23,24)(H,25,26,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.46 IUPAC digitized pKa -2 » -3
12.50 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization