pKahub
About
Molecules
Datasets
Molecule ID:
mol5970
SMILES:
NC12CC(C1)C2
InChI:
InChI=1S/C5H9N/c6-5-1-4(2-5)3-5/h4H,1-3,6H2
Experimental Macro pKa Values
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JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.58
IUPAC digitized pKa
1 » 0
8.58
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization