UNII G47437IOW7
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 WMQUKDQWMMOHSA-UHFFFAOYSA-N
Smiles CC(=O)c1ccncc1
InChI
InChI=1S/C7H7NO/c1-6(9)7-2-4-8-5-3-7/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7NO
Molecular Weight 121.14
AlogP 0.42
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 29.96
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 9.0
Assay Description Organism Bioactivity Reference
Thrips luring activity against female Frankliniella occidentalis (western flower thrips) assessed as trapping of thrips using compound treated yellow sticky traps relative to untreated control under commercial greenhouse Frankliniella occidentalis 4.5
Thrips luring activity against female Thrips tabaci (onion thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips tabaci 7.6
Thrips luring activity against male New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 10.3
Thrips luring activity against female New Zealand Thrips obscuratus (flower thrips) assessed as ratio of thrips in baited traps to unbaited traps during field trapping study Thrips obscuratus 0.0

Cross References

Resources Reference
ChEMBL CHEMBL445953
FDA SRS G47437IOW7
PubChem 14282
SureChEMBL SCHEMBL55235