pKahub
About
Molecules
Datasets
Molecule ID:
mol21099
SMILES:
CN1C=CNC1N
InChI:
InChI=1S/C4H9N3/c1-7-3-2-6-4(7)5/h2-4,6H,5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.54
Baltruschat ChEMBL
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization