PYRAFLUFEN-ETHYL

/static/temp/default.svg Search structure
UNII XOC9Q2DLMI
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 APTZNLHMIGJTEW-UHFFFAOYSA-N
Smiles CCOC(=O)COc1cc(c(F)cc1Cl)c2nn(C)c(OC(F)F)c2Cl
InChI
InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H13Cl2F3N2O4
Molecular Weight 413.18
AlogP 4.93
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 62.58
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Galium aparine assessed as killing at 12 g/ha measured after 21 days after treatment by time-course analysis Galium aparine 90.0 %
Ratio of compound ED90 to necoprop-p ED90 for herbicidal activity against Matricaria inodora None 3333.0
Ratio of compound ED90 to necoprop-p ED90 for herbicidal activity against Viola arvensis Viola arvensis 200.0
Ratio of compound ED90 to ioxynil ED90 for herbicidal activity against Stellaria media Stellaria media 166.0
Ratio of compound ED90 to ioxynil ED90 for herbicidal activity against Viola arvensis Viola arvensis 10.0
Inhibition of Stellaria media protoporphyinogen oxidase assessed as herbicidal activity at 0.3 g/ha measured after 2 days after treatment under greenhouse by time-course analysis Stellaria media 90.0 %
Inhibition of Stellaria media protoporphyinogen oxidase assessed as herbicidal activity at 0.3 g/ha measured after 21 days after treatment under greenhouse by time-course analysis Stellaria media 90.0 %
Herbicidal activity against Viola arvensis assessed as killing at 5 g/ha measured after 21 days after treatment under greenhouse by time-course analysis Viola arvensis 90.0 %
Inhibition of Veronica hederaefolia protoporphyrinogen oxidase by post-emergence herbicidal activity assay Veronica hederifolia 1.0 gAi/ha
Inhibition of Viola arvensis protoporphyrinogen oxidase by post-emergence herbicidal activity assay Viola arvensis 5.0 gAi/ha
Inhibition of Stellaria media protoporphyrinogen oxidase by post-emergence herbicidal activity assay Stellaria media 0.3 gAi/ha
Inhibition of Tripleurospermum maritimum subsp. inodorum protoporphyrinogen oxidase by post-emergence herbicidal activity assay Tripleurospermum maritimum subsp. inodorum 0.3 gAi/ha
Inhibition of Galium aparine protoporphyrinogen oxidase by post-emergence herbicidal activity assay Galium aparine 1.5 gAi/ha
Herbicidal activity against Veronica hederaefolia assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 80.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 21.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 11.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Veronica hederifolia 1.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 100.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 100.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 90.0 %
Herbicidal activity against Veronica hederaefolia assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Veronica hederifolia 40.0 %
Herbicidal activity against Viola arvensis assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Viola arvensis 50.0 %
Herbicidal activity against Viola arvensis assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Viola arvensis 40.0 %
Herbicidal activity against Viola arvensis assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Viola arvensis 40.0 %
Herbicidal activity against Viola arvensis assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Viola arvensis 11.0 %
Herbicidal activity against Viola arvensis assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Viola arvensis 100.0 %
Herbicidal activity against Viola arvensis assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Viola arvensis 80.0 %
Herbicidal activity against Viola arvensis assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Viola arvensis 80.0 %
Herbicidal activity against Viola arvensis assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Viola arvensis 21.0 %
Herbicidal activity against Stellaria media assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Stellaria media 100.0 %
Herbicidal activity against Stellaria media assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Stellaria media 90.0 %
Herbicidal activity against Stellaria media assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Stellaria media 40.0 %
Herbicidal activity against Stellaria media assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Stellaria media 21.0 %
Herbicidal activity against Stellaria media assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Stellaria media 100.0 %
Herbicidal activity against Stellaria media assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Stellaria media 100.0 %
Herbicidal activity against Stellaria media assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Stellaria media 100.0 %
Herbicidal activity against Stellaria media assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Stellaria media 90.0 %
Herbicidal activity against Galium aparine assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Galium aparine 50.0 %
Herbicidal activity against Galium aparine assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Galium aparine 40.0 %
Herbicidal activity against Galium aparine assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Galium aparine 21.0 %
Herbicidal activity against Galium aparine assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Galium aparine 11.0 %
Herbicidal activity against Galium aparine assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Galium aparine 100.0 %
Herbicidal activity against Galium aparine assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Galium aparine 100.0 %
Herbicidal activity against Galium aparine assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Galium aparine 80.0 %
Herbicidal activity against Galium aparine assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Galium aparine 60.0 %
Herbicidal activity against Avena fatua assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Avena fatua 21.0 %
Herbicidal activity against Avena fatua assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Avena fatua 1.0 %
Herbicidal activity against Avena fatua assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Avena fatua None
Herbicidal activity against Avena fatua assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Avena fatua None
Herbicidal activity against Avena fatua assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Avena fatua 21.0 %
Herbicidal activity against Avena fatua assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Avena fatua 1.0 %
Herbicidal activity against Avena fatua assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Avena fatua 1.0 %
Herbicidal activity against Avena fatua assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Avena fatua None
Herbicidal activity against Alopecurus myosuroides assessed as killing at 300 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides 1.0 %
Herbicidal activity against Alopecurus myosuroides assessed as killing at 100 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides None
Herbicidal activity against Alopecurus myosuroides assessed as killing at 30 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides None
Herbicidal activity against Alopecurus myosuroides assessed as killing at 10 g/ha pre emergence application measured after 21 days after treatment Alopecurus myosuroides None
Herbicidal activity against Alopecurus myosuroides assessed as killing at 10 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides 11.0 %
Herbicidal activity against Alopecurus myosuroides assessed as killing at 3 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides 1.0 %
Herbicidal activity against Alopecurus myosuroides assessed as killing at 1 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides None
Herbicidal activity against Alopecurus myosuroides assessed as killing at 0.3 g/ha post emergence application measured after 21 days after treatment Alopecurus myosuroides None
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 300 g/ha pre emergence application measured after 21 days after treatment Hordeum vulgare 21.0 %
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 100 g/ha pre emergence application measured after 21 days after treatment Hordeum vulgare 1.0 %
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 30 g/ha pre emergence application measured after 21 days after treatment Hordeum vulgare None
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 10 g/ha pre emergence application measured after 21 days after treatment Hordeum vulgare None
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 10 g/ha post emergence application measured after 21 days after treatment Hordeum vulgare 11.0 %
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 3 g/ha post emergence application measured after 21 days after treatment Hordeum vulgare 1.0 %
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 1 g/ha post emergence application measured after 21 days after treatment Hordeum vulgare None
Phytotoxicity in Hordeum vulgare (barley) assessed as injury at 0.3 g/ha post emergence application measured after 21 days after treatment Hordeum vulgare None
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 300 g/ha pre emergence application measured after 21 days after treatment Triticum aestivum 11.0 %
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 100 g/ha pre emergence application measured after 21 days after treatment Triticum aestivum 1.0 %
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 30 g/ha pre emergence application measured after 21 days after treatment Triticum aestivum None
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 10 g/ha pre emergence application measured after 21 days after treatment Triticum aestivum None
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 10 g/ha post emergence application measured after 21 days after treatment Triticum aestivum 11.0 %
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 3 g/ha post emergence application measured after 21 days after treatment Triticum aestivum 1.0 %
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 1 g/ha post emergence application measured after 21 days after treatment Triticum aestivum None
Phytotoxicity in Triticum aestivum (wheat) assessed as injury at 0.3 g/ha post emergence application measured after 21 days after treatment Triticum aestivum None

Cross References

Resources Reference
ChEMBL CHEMBL1905010
FDA SRS XOC9Q2DLMI
SureChEMBL SCHEMBL53390
ZINC ZINC13828120
CONTENTS