Molecule ID: mol261

SMILES: Cc1ccc(S(=O)(=O)NCCCN)cc1

InChI: InChI=1S/C10H16N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11/h3-6,12H,2,7-8,11H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization