Molecule ID: mol30754

SMILES: Nc1cccc2c(O)ccc(S(=O)(=O)O)c12

InChI: InChI=1S/C10H9NO4S/c11-7-3-1-2-6-8(12)4-5-9(10(6)7)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
4.78 AttenGpKa training set 0 » -1
8.70 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization