pKahub
About
Molecules
Datasets
Molecule ID:
mol15955
SMILES:
CCCCCNN
InChI:
InChI=1S/C5H14N2/c1-2-3-4-5-7-6/h7H,2-6H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.25
Datawarrior
1 » 0
6.25
OCHEM
1 » 0
7.75
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization