pKahub
About
Molecules
Datasets
Molecule ID:
mol21101
SMILES:
CN1C=CNC1
InChI:
InChI=1S/C4H8N2/c1-6-3-2-5-4-6/h2-3,5H,4H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.12
Baltruschat ChEMBL
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization