PENFLURON

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UNII M9940344YH
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 JTHMHWAHAKLCKT-UHFFFAOYSA-N
Smiles Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChI
InChI=1S/C15H9F5N2O2/c16-10-2-1-3-11(17)12(10)13(23)22-14(24)21-9-6-4-8(5-7-9)15(18,19)20/h1-7H,(H2,21,22,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H9F5N2O2
Molecular Weight 344.24
AlogP 3.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 0.25 mg/l at 25 +/-1degC after 4 days Mythimna separata 95.0 %
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 0.5 mg/l at 25 +/-1degC after 4 days Mythimna separata 100.0 %
Insecticidal activity against fourth-instar larval stage of Mythimna separata (Oriental armyworm) in compound-pretreated corn leaves assessed as mortality at 1 mg/l at 25 +/-1degC after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 0.25 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 95.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm ) in compound treated corn leaves at 0.5 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 1 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 2.5 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 5 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 10 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 25 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Larvicidal activity against Mythimna separata (Oriental armyworm) in compound treated corn leaves at 50 mg/L at 25 +/- 1 degC measured after 4 days Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 0.1 mg/kg by foliar application Mythimna separata 0.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 0.2 mg/kg by foliar application Mythimna separata 95.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 0.5 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 1 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 5 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 10 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 25 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 100 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 50 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 200 mg/kg by foliar application Mythimna separata 100.0 %
Insecticidal activity against fourth instar larvae of Mythimna separata (Oriental armyworm) in compound treated corn leaves assessed as mortality at 500 mg/kg by foliar application Mythimna separata 100.0 %
Ovicidal activity against third-instar larvae of Spodoptera litura in paraffin paper assessed as egg mortality at 0.5 ppm at 25 degC, 65% RH measured after 7 days by egg dipping method Spodoptera litura 90.0 %
Insecticidal activity against third-instar larvae of Spodoptera litura in compound treated sweet potato leaves assessed as mortality at 31 ppm at 25 degC, 65% RH measured after 5 days by leaf dipping method Spodoptera litura 90.0 %
Insecticidal activity against third-instar larvae Mythimna separata (Oriental armyworm) in compound treated maize leaves assessed as mortality at 0.1 ppm at 25 degC, 65% RH measured after 5 days by leaf dipping method Mythimna separata 90.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2229533
FDA SRS M9940344YH
PubChem 107651
SureChEMBL SCHEMBL117735
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