Synonyms
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key IKHGUXGNUITLKF-UHFFFAOYSA-N
Smiles CC=O
InChI
InChI=1S/C2H4O/c1-2-3/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4O
Molecular Weight 44.05
AlogP -0.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 3.0
Assay Description Organism Bioactivity Reference
Antimicrobial activity against Escherichia coli O157:H7 ATCC 43894 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Escherichia coli O157:H7 5.3 %
Antimicrobial activity against Staphylococcus aureus ATCC 25923 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Staphylococcus aureus 2.8 %
Antimicrobial activity against Listeria monocytogenes ATCC 19111 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Listeria monocytogenes 10.0 %
Antimicrobial activity against Vibrio parahaemolyticus ATCC 33844 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Vibrio parahaemolyticus 11.1 %
Antimicrobial activity against Salmonella enterica subsp. enterica serovar Typhimurium ATCC 14028 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Salmonella enterica subsp. enterica serovar Typhimurium 15.4 %
Antimicrobial activity against Bacillus cereus ATCC 11778 assessed as growth inhibition rate at 1.2 mg/l after 72 hr by spectrophotometry Bacillus cereus 1.2 %

Cross References

Resources Reference
ChEMBL CHEMBL170365