pKahub
About
Molecules
Datasets
Molecule ID:
mol31494
SMILES:
ON=C1CCCCC1
InChI:
InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
11.60
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization