pKahub
About
Molecules
Datasets
Molecule ID:
mol15865
SMILES:
CCCCNN
InChI:
InChI=1S/C4H12N2/c1-2-3-4-6-5/h6H,2-5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.82
Datawarrior
1 » 0
7.82
AttenGpKa training set
1 » 0
7.82
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization