pKahub
About
Molecules
Datasets
Molecule ID:
mol15927
SMILES:
C[N+](C)(C)O
InChI:
InChI=1S/C3H10NO/c1-4(2,3)5/h5H,1-3H3/q+1
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.57
AttenGpKa training set
1 » 0
4.65
Datawarrior
1 » 0
4.65
OCHEM
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization