pKahub
About
Molecules
Datasets
Molecule ID:
mol31094
SMILES:
O=C1C=C(O)CO1
InChI:
InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1,5H,2H2
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
3.76
QSARToolbox
0 » -1
3.76
QSARToolbox
0 » -1
3.76
AttenGpKa training set
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization