pKahub
About
Molecules
Datasets
Molecule ID:
mol27998
SMILES:
CNC(=N)NC
InChI:
InChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
13.60
AttenGpKa training set
1 » 0
13.90
OCHEM
0 » -1
13.90
OCHEM
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization