pKahub
About
Molecules
Datasets
Molecule ID:
mol15953
SMILES:
CCNN(C)CC
InChI:
InChI=1S/C5H14N2/c1-4-6-7(3)5-2/h6H,4-5H2,1-3H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.81
OCHEM
1 » 0
6.81
Datawarrior
1 » 0
6.81
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization