pKahub
About
Molecules
Datasets
Molecule ID:
mol16046
SMILES:
CCn1cncn1
InChI:
InChI=1S/C4H7N3/c1-2-7-4-5-3-6-7/h3-4H,2H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.39
Datawarrior
1 » 0
2.39
OCHEM
1 » 0
2.39
QSARToolbox
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization