Molecule ID: mol24314

SMILES: CNCCCS(=O)(=O)c1ccccc1

InChI: InChI=1S/C10H15NO2S/c1-11-8-5-9-14(12,13)10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization