pKahub
About
Molecules
Datasets
Molecule ID:
mol21806
SMILES:
NC1CCCCC1N
InChI:
InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.64
OCHEM
2 » 1
9.84
OCHEM
2 » 1
10.24
Organic Oxygen Acids and Nitrogen Bases
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization