pKahub
About
Molecules
Datasets
Molecule ID:
mol3884
SMILES:
CCC1CCCN1C
InChI:
InChI=1S/C7H15N/c1-3-7-5-4-6-8(7)2/h7H,3-6H2,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.78
OCHEM
1 » 0
9.78
Datawarrior
1 » 0
9.80
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization