pKahub
About
Molecules
Datasets
Molecule ID:
mol15864
SMILES:
CCCN(C)N
InChI:
InChI=1S/C4H12N2/c1-3-4-6(2)5/h3-5H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.35
OCHEM
1 » 0
7.35
Datawarrior
1 » 0
7.35
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization