pKahub
About
Molecules
Datasets
Molecule ID:
mol12353
SMILES:
O=C1COC(=O)C1I
InChI:
InChI=1S/C4H3IO3/c5-3-2(6)1-8-4(3)7/h3H,1H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
2.31
OCHEM
0 » -1
2.31
Datawarrior
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization