pKahub
About
Molecules
Datasets
Molecule ID:
mol25231
SMILES:
Cc1cn(C)cn1
InChI:
InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
7.75
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization