pKahub
About
Molecules
Datasets
Molecule ID:
mol4103
SMILES:
NC1=NCCCN1
InChI:
InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
14.11
IUPAC digitized pKa
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization