Molecule ID: mol30882

SMILES: CCCCCCCCc1cc(O)c(S(=O)O)cc1O

InChI: InChI=1S/C14H22O4S/c1-2-3-4-5-6-7-8-11-9-13(16)14(19(17)18)10-12(11)15/h9-10,15-16H,2-8H2,1H3,(H,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.90 AttenGpKa training set -1 » -2
11.80 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization