pKahub
About
Molecules
Datasets
Molecule ID:
mol24491
SMILES:
CCC1CC=CN1
InChI:
InChI=1S/C6H11N/c1-2-6-4-3-5-7-6/h3,5-7H,2,4H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.43
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization