pKahub
About
Molecules
Datasets
Molecule ID:
mol15849
SMILES:
O=C(O)CCP
InChI:
InChI=1S/C3H7O2P/c4-3(5)1-2-6/h1-2,6H2,(H,4,5)
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.23
Datawarrior
0 » -1
4.23
OCHEM
0 » -1
4.23
QSARToolbox
0 » -1
4.23
QSARToolbox
0 » -1
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization