pKahub
About
Molecules
Datasets
Molecule ID:
mol13104
SMILES:
N#CC(C#N)C(C#N)C#N
InChI:
InChI=1S/C6H2N4/c7-1-5(2-8)6(3-9)4-10/h5-6H
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.60
OCHEM
0 » -1
3.60
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization