Molecule ID: mol30756

SMILES: Nc1c(S(=O)(=O)O)ccc2c(O)cccc12

InChI: InChI=1S/C10H9NO4S/c11-10-7-2-1-3-8(12)6(7)4-5-9(10)16(13,14)15/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
1.48 AttenGpKa training set 0 » -1
9.60 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization