pKahub
About
Molecules
Datasets
Molecule ID:
mol24469
SMILES:
CN(C)CC(C)(C)N
InChI:
InChI=1S/C6H16N2/c1-6(2,7)5-8(3)4/h5,7H2,1-4H3
Experimental Macro pKa Values
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TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.21
QSARToolbox
2 » 1
10.13
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization