Molecule ID: mol30757

SMILES: Nc1ccc(S(=O)(=O)O)c2c(O)cccc12

InChI: InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)10-6(7)2-1-3-8(10)12/h1-5,12H,11H2,(H,13,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.36 AttenGpKa training set 0 » -1
11.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization