pKahub
About
Molecules
Datasets
Molecule ID:
mol15859
SMILES:
O=C/C(O)=C/O
InChI:
InChI=1S/C3H4O3/c4-1-3(6)2-5/h1-2,4,6H/b3-1-
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
5.03
Datawarrior
0 » -1
5.06
AttenGpKa training set
0 » -1
12.90
AttenGpKa training set
-1 » -2
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization