pKahub
About
Molecules
Datasets
Molecule ID:
mol15952
SMILES:
CCN(CC)NC
InChI:
InChI=1S/C5H14N2/c1-4-7(5-2)6-3/h6H,4-5H2,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.98
QSARToolbox
1 » 0
7.14
OCHEM
1 » 0
7.14
Datawarrior
1 » 0
7.14
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization