Molecule ID: mol16018

SMILES: CN1CCNCC1

InChI: InChI=1S/C5H12N2/c1-7-4-2-6-3-5-7/h6H,2-5H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.05 Datawarrior 2 » 1
9.32 AttenGpKa training set 1 » 0
9.60 Datawarrior 1 » 0
9.60 OCHEM 1 » 0
9.85 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization