pKahub
About
Molecules
Datasets
Molecule ID:
mol14276
SMILES:
NC12CCC(C1)C2
InChI:
InChI=1S/C6H11N/c7-6-2-1-5(3-6)4-6/h5H,1-4,7H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.30
Datawarrior
1 » 0
9.30
AttenGpKa training set
1 » 0
9.30
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization