Molecule ID: mol31050

SMILES: O=S1(=O)OC(c2ccc(O)c(I)c2)(c2ccc(O)c(I)c2)c2ccccc21

InChI: InChI=1S/C19H12I2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.60 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization