FENITROTHION

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Synonyms
Molecule Category Free-form
UNII W8M4X3Y7ZY
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 ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Smiles COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12NO5PS
Molecular Weight 277.23
AlogP 2.69
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 115.41
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 17.0
Assay Description Organism Bioactivity Reference
Risk quotient, recommended field rate (g/ha) to LC50 for Trichogramma nubilale (mg/L) Trichogramma nubilale 57.1
Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 34.74 mgAi/L Contact toxicity against Trichogramma nubilale assessed as mortality after 24 hr by modified slight dry film method Trichogramma nubilale 2.1 mgAi/L
Dissociation constant, pKa of the compound at pH 7.3 None 0.0
Apparent hydrophobicity, log D of the compound in Octanol-buffer None 3.3
Apparent permeability of the compound by PAMPA None -5.55
Hydrophobicity, log P of the compound in octanol-water by shaking-flask method None 3.3
Insecticidal activity against Nephotettix cincticeps (green rice leafhopper) infested on rice leaf assessed as mortality after 5 days Nephotettix cincticeps 200.0 ppm
Ratio of EC50 for Daphnia magna to EC50 for first instar larvae of Cheumatopsyche brevilineata None 0.15
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 0.00778 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound None 3.43
Insecticidal activity against Daphnia magna after 48 hr Daphnia magna 0.011 ug.mL-1
Ratio of EC50 for fifth-instar larvae of Cheumatopsyche brevilineata K to EC50 for first instar larvae of Cheumatopsyche brevilineata K Cheumatopsyche 28.4
Ratio of EC50 for fifth-instar larvae of Cheumatopsyche brevilineata M to EC50 for first instar larvae of Cheumatopsyche brevilineata M Cheumatopsyche 4.3
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata K after 48 hr Cheumatopsyche 0.0261 ug.mL-1
Insecticidal activity against fifth-instar larvae of Cheumatopsyche brevilineata K after 48 hr Cheumatopsyche 0.741 ug.mL-1
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata M after 48 hr Cheumatopsyche 0.00623 ug.mL-1
Insecticidal activity against fifth-instar larvae of Cheumatopsyche brevilineata M after 48 hr Cheumatopsyche 0.0265 ug.mL-1
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 6 hr Spodoptera litura 81.8 %
Drug uptake in Spodoptera litura assessed as recovered drug level 0.2 ug/insect after 1 hr Spodoptera litura 94.8 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 6 hr Spodoptera litura 71.0 %
Drug uptake in Spodoptera litura assessed as penetrated drug level 0.2 ug/insect after 1 hr Spodoptera litura 51.2 %
Drug uptake in Spodoptera litura assessed as unchanged drug level 0.2 ug/insect after 1 hr Spodoptera litura 40.9 %
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 6 hr Spodoptera litura 10.8 %
Octanol-water partition coefficient, log P of the compound by shake-flask method None 3.27
Drug uptake in Spodoptera litura assessed as surface residue level 0.2 ug/insect after 1 hr Spodoptera litura 43.6 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.015 ug/insect after 24 hr Musca domestica 0.0 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.031 ug/insect after 24 hr Musca domestica 3.3 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.062 ug/insect after 24 hr Musca domestica 46.7 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.125 ug/insect after 24 hr Musca domestica 93.3 %
Insecticidal activity against Musca domestica (house fly) assessed as mortality at 0.250 ug/insect after 24 hr Musca domestica 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.002 ug/insect after 24 hr Culex pipiens pallens 50.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.004 ug/insect after 24 hr Culex pipiens pallens 86.7 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.0005 ug/insect after 24 hr Culex pipiens pallens 3.3 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.008 ug/insect after 24 hr Culex pipiens pallens 100.0 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.001 ug/insect after 24 hr Culex pipiens pallens 16.7 %
Insecticidal activity against Culex pipiens pallens (mosquito) assessed as mortality at 0.00025 ug/insect after 24 hr Culex pipiens pallens 0.0 %
Resistance ratio, LC50 for OP-resistance Chilo suppressalis Hata-f (rice stem borer) to OP-susceptible Chilo suppressalis S (rice stem borer) strain Chilo suppressalis 38.0
Insecticidal activity against OP-resistance Chilo suppressalis Hata-f (rice stem borer) assessed as mortality measured after 24 hr Chilo suppressalis 69.0 mg.kg-1
Insecticidal activity against OP-susceptible Chilo suppressalis S (rice stem borer) strain assessed as mortality measured after 24 hr Chilo suppressalis 1.8 mg.kg-1
Ratio of LD50 for Laodelphax striatella Ibaraki (small brown planthopper) to LD50 for susceptible Laodelphax striatella Laodelphax striatella 4.2
Ratio of LD50 for Laodelphax striatella Kumamoto (small brown planthopper) to LD50 for susceptible Laodelphax striatella Laodelphax striatella 5.9
Insecticidal activity against Laodelphax striatella Ibaraki (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella 27.0 mg.kg-1
Insecticidal activity against Laodelphax striatella Kumamoto (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella 38.0 mg.kg-1
Insecticidal activity against susceptible Laodelphax striatella (small brown planthopper) assessed as mortality compound treated topically on dorsal side Laodelphax striatella 6.4 mg.kg-1
Insecticidal activity against female Musca domestica (house fly) assessed as mortality compound topically applied to the abdomen measured per fly after 24 hr Musca domestica 0.051 ug
Insecticidal activity against fourth-instar Tribolium castaneum (red flour beetle) assessed as inhibition of larval weight gain at 30 degC measured after 2 days by feeding method Tribolium castaneum 4.7 ppm
Insecticidal activity against organophosphate-resistant Chilo suppressalis (rice stem borer) fifth-instar larvae assessed as mortality after 24 hr Chilo suppressalis 77.3 mg.kg-1
Insecticidal activity against wild-type Chilo suppressalis (rice stem borer) fifth-instar larvae assessed as mortality after 24 hr Chilo suppressalis 2.42 mg.kg-1

Cross References

Resources Reference
ChEMBL CHEMBL347698
FDA SRS W8M4X3Y7ZY
PubChem 31200
SureChEMBL SCHEMBL26916
ZINC ZINC00001434
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