Synonyms
UNII 4N7OMZ879V
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 VOEYXMAFNDNNED-UHFFFAOYSA-N
Smiles CNC(=O)Oc1cccc(C)c1
InChI
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11NO2
Molecular Weight 165.19
AlogP 2.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
In vivo insecticidal activity against apterous adult stage of Lipaphis erysimi (mustard aphids) in chinese cabbage leaves assessed as mortality at 300 mg/l at 25 degC treated for 10 secs measured after 24 hr Lipaphis erysimi 97.0 %
Dual-site binding inhibition of AChE in Musca domestica (house fly) brain Musca domestica 150000.0 nM
Risk quotient, recommended field rate (g/ha) to LC50 for Trichogramma nubilale (mg/L) Trichogramma nubilale 1019.0
Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 5.2 mgAi/L Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 0.53 mgAi/L

Cross References

Resources Reference
ChEMBL CHEMBL2046816
FDA SRS 4N7OMZ879V
PubChem 14322
SureChEMBL SCHEMBL118244
ZINC ZINC00135179