pKahub
About
Molecules
Datasets
Molecule ID:
mol16023
SMILES:
CC1NCCCN1
InChI:
InChI=1S/C5H12N2/c1-5-6-3-2-4-7-5/h5-7H,2-4H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.19
Datawarrior
2 » 1
9.09
Datawarrior
1 » 0
9.09
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization