Molecule ID: mol5867

SMILES: CN(C)CCCN

InChI: InChI=1S/C5H14N2/c1-7(2)5-3-4-6/h3-6H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.66 QSARToolbox 2 » 1
6.74 QSARToolbox 2 » 1
6.74 Datawarrior 2 » 1
9.33 QSARToolbox 2 » 1
9.75 AttenGpKa training set 1 » 0
10.03 Datawarrior 1 » 0
10.03 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization