Molecule ID: mol251

SMILES: NCCCS(=O)(=O)c1ccccc1

InChI: InChI=1S/C9H13NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.20 OCHEM 1 » 0
9.20 AvLiLuMoVe 1 » 0
9.20 Settimo 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization