Molecule ID: mol226

SMILES: O=S1(=O)CCNCC1

InChI: InChI=1S/C4H9NO2S/c6-8(7)3-1-5-2-4-8/h5H,1-4H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization