pKahub
About
Molecules
Datasets
Molecule ID:
mol3946
SMILES:
N#CCN1CCOCC1
InChI:
InChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.00
Datawarrior
1 » 0
2.00
OCHEM
1 » 0
2.00
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization