Molecule ID: mol15972

SMILES: CCCNCCS

InChI: InChI=1S/C5H13NS/c1-2-3-6-4-5-7/h6-7H,2-5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.92 Datawarrior 1 » 0
7.92 OCHEM 1 » 0
10.90 QSARToolbox 0 » -1
10.90 Datawarrior 0 » -1
10.90 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization