pKahub
About
Molecules
Datasets
Molecule ID:
mol8710
SMILES:
CN(C)C=O
InChI:
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
-1.13
AttenGpKa training set
1 » 0
1.60
Baltruschat ChEMBL
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization