Molecule ID: mol30891

SMILES: O=S(=O)(O)c1ccc2c(O)c(O)c3ccccc3c2c1

InChI: InChI=1S/C14H10O5S/c15-13-10-4-2-1-3-9(10)12-7-8(20(17,18)19)5-6-11(12)14(13)16/h1-7,15-16H,(H,17,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.30 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization