pKahub
About
Molecules
Datasets
Molecule ID:
mol6855
SMILES:
CC1=NNCC1
InChI:
InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h5H,2-3H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.55
IUPAC digitized pKa
1 » 0
5.60
IUPAC digitized pKa
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization