Molecule ID: mol3343

SMILES: CCN(CC)c1ccc(S(N)(=O)=O)cc1

InChI: InChI=1S/C10H16N2O2S/c1-3-12(4-2)9-5-7-10(8-6-9)15(11,13)14/h5-8H,3-4H2,1-2H3,(H2,11,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.75 QSARToolbox 1 » 0
1.75 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization