pKahub
About
Molecules
Datasets
Molecule ID:
mol24488
SMILES:
C1=CCNCC1
InChI:
InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
10.40
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization