pKahub
About
Molecules
Datasets
Molecule ID:
mol16016
SMILES:
NC1CCNCC1
InChI:
InChI=1S/C5H12N2/c6-5-1-3-7-4-2-5/h5,7H,1-4,6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
8.10
Datawarrior
2 » 1
8.10
QSARToolbox
2 » 1
10.63
Datawarrior
1 » 0
10.63
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization