pKahub
About
Molecules
Datasets
Molecule ID:
mol31087
SMILES:
C[N+](C)(C)CO
InChI:
InChI=1S/C4H12NO/c1-5(2,3)4-6/h6H,4H2,1-3H3/q+1
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
9.33
AttenGpKa training set
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization