pKahub
About
Molecules
Datasets
Molecule ID:
mol13677
SMILES:
C1CNCCNCCN1
InChI:
InChI=1S/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
6.97
QSARToolbox
2 » 1
6.97
Datawarrior
2 » 1
10.64
Datawarrior
1 » 0
10.64
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization