pKahub
About
Molecules
Datasets
Molecule ID:
mol2052
SMILES:
CNC1CCCC1
InChI:
InChI=1S/C6H13N/c1-7-6-4-2-3-5-6/h6-7H,2-5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.85
OCHEM
1 » 0
10.85
Hunt
1 » 0
10.85
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization