OXYFLUORFEN

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UNII 46GY4Y6567
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 OQMBBFQZGJFLBU-UHFFFAOYSA-N
Smiles CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11ClF3NO4
Molecular Weight 361.7
AlogP 5.22
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 64.28
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Prosopis farcta assessed as shoot dry weight at 1000 l/ha applied twice followed by harvest measured after vegetative regrowth (Rvb = 2.784 metric tons/ha) Prosopis farcta 1.15 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot fresh weight at 1000 l/ha applied twice followed by harvest measured after vegetative regrowth (Rvb = 3.53 metric tons/ha) Prosopis farcta 1.47 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot dry weight at 1000 l/ha applied twice (Rvb = 1.528 metric tons/ha) Prosopis farcta 0.479 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot fresh weight at 1000 l/ha applied twice (Rvb = 4.18 metric tons/ha) Prosopis farcta 0.96 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot dry weight at 1000 l/ha applied once followed by harvest measured after vegetative regrowth (Rvb = 1.593 metric tons/ha) Prosopis farcta 3.48 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot fresh weight at 1000 l/ha applied once followed by harvest measured after vegetative regrowth (Rvb = 2.062 metric tons/ha) Prosopis farcta 4.51 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot dry weight at 1000 l/ha applied once (Rvb = 0.833 metric tons/ha) Prosopis farcta 0.26 MT/ha
Herbicidal activity against Prosopis farcta assessed as shoot fresh weight at 1000 l/ha applied once (Rvb = 1.72 metric tons/ha) Prosopis farcta 0.6 MT/ha
Toxicity in Gossypium hirsutum (cotton) assessed as formation of injury to cotton Gossypium hirsutum None
Herbicidal activity against glyphosate-resistant Conyza canadensis (horseweed) assessed as residual control at 420 g a.i./ha treated during autumn and spring measured 8 weeks after treatment Conyza canadensis 95.0 %
Herbicidal activity against glyphosate-resistant Conyza canadensis (horseweed) assessed as residual control at 420 g a.i./ha treated during autumn and spring measured 6 weeks after treatment Conyza canadensis 99.0 %
Herbicidal activity against glyphosate-resistant Conyza canadensis (horseweed) assessed as residual control at 420 g a.i./ha treated during autumn and spring measured 4 weeks after treatment Conyza canadensis 100.0 %
Herbicidal activity against Cyperus rotundus assessed as decrease in total dry weight at 0.6 kg/ha applied as spray during post-emergence relative to weed-infested control Cyperus rotundus 68.0 %
Herbicidal activity against Malva sylvestris assessed as decrease in total dry weight at 0.6 kg/ha applied as spray during post-emergence relative to weed-infested control Malva sylvestris 68.0 %
Herbicidal activity against Chenopodium murale assessed as decrease in total dry weight at 0.6 kg/ha applied as spray during postemergence relative to weed-infested control Chenopodium murale 68.0 %
Herbicidal activity against Malva sylvestris assessed as total dry weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Malva sylvestris 2.93 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total dry weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Cyperus rotundus 2.93 MT/ha
Herbicidal activity against Chenopodium murale assessed as total dry weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Chenopodium murale 2.93 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.6 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Malva sylvestris 7.7 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.6 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Cyperus rotundus 7.7 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.6 kg/ha applied as spray during postemergence (Rvb = 23.6 MT/ha) Chenopodium murale 7.7 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Cyperus rotundus 15.8 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Malva sylvestris 15.8 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Chenopodium murale 15.8 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.6 kg/ha applied as spray during post-emergence (Rvb = 7.71 MT/ha) Allium cepa 17.01 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.6 kg/ha applied as spray before seed sowing (Rvb = 7.71 MT/ha) Allium cepa 8.68 MT/ha
Phytotoxic activity against Scenedesmus acutus assessed as growth inhibition measured after 20 hr Scenedesmus acutus 52.48 nM
Phytotoxic activity against Scenedesmus acutus assessed as inhibition of carotenoid biosynthesis measured after 48 hr Scenedesmus acutus 7.94 nM
Phytotoxic activity against Scenedesmus acutus assessed as ethane formation measured after 20 hr Scenedesmus acutus 20.89 nM
Phytotoxic activity against Scenedesmus acutus assessed as decrease in chlorophyll measured after 20 hr Scenedesmus acutus 7.08 nM
Inhibition of Protoporphyrinogen IX oxidase in Zea mays (maize) seedlings assessed as proto-IX formation by fluorescence spectrophotometer Zea mays 1.86 nM
Dissociation constant, pKa of the compound None 7.63
Phytotoxicity against Scenedesmus acutus assessed as inhibition of chlorophyll content after 48 hr under dark conditions by spectrophotometry relative to untreated control Scenedesmus acutus 39.81 nM
Phytotoxicity against Scenedesmus acutus assessed as inhibition of chlorophyll content after 16 hr by spectrophotometry relative to untreated control Scenedesmus acutus 2.24 %
Growth inhibition of Scenedesmus acutus assessed as packed cell volume per ml of algal culture volume after 16 hr (Rvb = 3.8 ul pcv/ml) Scenedesmus acutus 1.4 uL/ml
Inhibition of protoporphyrinogen IX oxidase in Scenedesmus acutus assessed as protoporphyrin IX level per ml of packed cell volume at 1 uM after 1 hr by HPLC Scenedesmus acutus 65.6 nmol
Inhibition of protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedlings etioplasts homogenates assessed as reduction in protoporphyrin IX production by fluorescence spectroscopy Zea mays 7.94 nM
Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll content by spectrophotometry Scenedesmus acutus 7.08 nM
Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane production after 20 hr by gas chromatography Scenedesmus acutus 100.0 nM
Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell volume Scenedesmus acutus 10.0 nM
Growth inhibition of Scenedesmus acutus assessed as packed cell volume per ml of algal culture volume after 16 hr (Rvb = 3.8 ul pcv/ml) Scenedesmus acutus 1.4 uL/ml
Phytotoxicity against Scenedesmus acutus assessed as inhibition of chlorophyll content after 16 hr by spectrophotometry relative to untreated control Scenedesmus acutus 92.2 %
Inhibition of Protoporphyrinogen IX oxidase in Zea mays cv. Anjou (maize) seedlings etioplasts homogenates assessed as reduction in protoporphyrin IX production by fluorescence spectroscopy Zea mays 7.94 nM
Inhibition of Protoporphyrinogen IX oxidase in Scenedesmus acutus assessed as protoporphyrin IX level per ml of packed cell volume by HPLC Scenedesmus acutus 65.6 nmol
Peroxidizing phytotoxicity against Scenedesmus acutus assessed as ethane production after 20 hr by gas chromatography Scenedesmus acutus 41.69 nM
Phytotoxicity against Scenedesmus acutus assessed as reduction in chlorophyll content by spectrophotometry Scenedesmus acutus 21.38 nM
Growth inhibition of Scenedesmus acutus assessed as reduction in packed cell volume Scenedesmus acutus 30.9 nM
Growth inhibition of Echinochloa esculenta assessed as reduction of root growth Echinochloa esculenta 1737.8 nM
Light dependent herbicidal activity against Echinochloa oryzicola seedlings assessed as inhibition of seedlings growth at 10 ppm measured after 6 days post compound application under greenhouse conditions at 25 +/- 2 degC with day light Echinochloa oryzicola None
Lipophilicity, log P of the compound None 4.7
Protection against oxyfluorfen-induced phytotoxicity in Scenedesmus acutus in light condition assessed as reduction of protoporphyrin-9 accumulation per ml of packed cell volume after 2 hr Scenedesmus acutus 102.38 nM
Protection against oxyfluorfen-induced phytotoxicity in Scenedesmus acutus in light condition assessed as reduction of ethane formation per ml of packed cell volume after 16 hr (Rvb = 11.82 nM) Scenedesmus acutus 11.82 nM
Protection against oxyfluorfen-induced phytotoxicity in Scenedesmus acutus in light condition assessed as increase of chlorophyll content after 16 hr (Rvb = 0.94 ug/ml) Scenedesmus acutus 0.94 ug ml-1
Protection against oxyfluorfen-induced phytotoxicity in Scenedesmus acutus in light condition assessed as cell density per micro liter of packed cell volume after 16 hr (Rvb = 2.1 ml) Scenedesmus acutus 2.1 ml

Cross References

Resources Reference
ChEMBL CHEMBL1871400
FDA SRS 46GY4Y6567
PubChem 39327
SureChEMBL SCHEMBL39004
ZINC ZINC02006235
CONTENTS