pKahub
About
Molecules
Datasets
Molecule ID:
mol1770
SMILES:
COCCNCCOC
InChI:
InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.51
OCHEM
1 » 0
9.51
OCHEM
1 » 0
9.51
Hunt
1 » 0
9.51
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization