pKahub
About
Molecules
Datasets
Molecule ID:
mol15954
SMILES:
CCN(C)N(C)C
InChI:
InChI=1S/C5H14N2/c1-5-7(4)6(2)3/h5H2,1-4H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.28
QSARToolbox
2 » 1
6.38
Datawarrior
2 » 1
6.38
AttenGpKa training set
2 » 1
6.38
OCHEM
2 » 1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization