NORFLURAZONE

/static/temp/default.svg Search structure
UNII KES1HB07E4
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 NVGOPFQZYCNLDU-UHFFFAOYSA-N
Smiles CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H9ClF3N3O
Molecular Weight 303.67
AlogP 2.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 44.7
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1 kg/ha preemergence treatment by glasshouse test Digitaria sanguinalis None
Herbicidal activity against Stellaria media assessed as growth inhibition at 1 kg/ha preemergence treatment by glasshouse test Stellaria media None
Herbicidal activity against Lolium perenne (perennial ryegrass) assessed as growth inhibition at 1 kg/ha preemergence treatment by glasshouse test Lolium perenne None
Herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1 kg/ha preemergence treatment by glasshouse test Amaranthus retroflexus None
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as growth inhibition at 1 kg/ha postemergence treatment by glasshouse test Digitaria sanguinalis None
Herbicidal activity against Stellaria media assessed as growth inhibition at 1 kg/ha postemergence treatment by glasshouse test Stellaria media None
Herbicidal activity against Lolium perenne (perennial ryegrass) assessed as growth inhibition at 1 kg/ha postemergence treatment by glasshouse test Lolium perenne None
Herbicidal activity against Amaranthus retroflexus assessed as growth inhibition at 1 kg/ha postemergence treatment by glasshouse test Amaranthus retroflexus None
Herbicidal activity against Poa annua assessed as growth inhibition at 32 ppm by 96-well plate test Poa annua 99.0 %
Herbicidal activity against Arabidopsis thaliana assessed as growth inhibition at 10 ppm by 96-well plate test Arabidopsis thaliana 99.0 %
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 1680 g a.i./ha treated during autumn and spring measured 8 weeks after treatment Conyza canadensis 100.0 %
Herbicidal activity against glyphosate-resistant Conyza canadensis (horseweed) assessed as residual control at 1680 g a.i./ha treated during autumn and spring measured 6 weeks after treatment Conyza canadensis 100.0 %
Herbicidal activity against glyphosate-resistant Conyza canadensis (horseweed) assessed as residual control at 1680 g a.i./ha treated during autumn and spring measured 4 weeks after treatment Conyza canadensis 100.0 %
Phytotoxic activity against Scenedesmus acutus assessed as phytoene accumulation Scenedesmus acutus None
Phytotoxic activity against Scenedesmus acutus assessed as growth inhibition measured after 20 hr Scenedesmus acutus 208.93 nM
Phytotoxic activity against Scenedesmus acutus assessed as inhibition of carotenoid biosynthesis measured after 48 hr Scenedesmus acutus 208.93 nM
Phytotoxic activity against Scenedesmus acutus assessed as decrease in chlorophyll measured after 20 hr Scenedesmus acutus 186.21 nM
Inhibition of Capsicum annuum (pepper) zeta-carotene desaturase expressed in Escherichia coli using zeta-carotene as substrate after 8 hr by Dixon plot analysis Capsicum annuum 100000.0 nM
Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichia coli JM101 using phytoene as substrate after 8 hr by Dixon plot analysis Synechococcus 29.0 nM Inhibition of Synechococcus PCC 7942 phytoene desaturase expressed in Escherichia coli JM101 using phytoene as substrate after 8 hr by Dixon plot analysis Synechococcus 31.62 nM
Competitive inhibition of Gentiana lutea desaturase using decyl plastoquinone as cofactor and phytoene as substrate at 0.1 uM after 2 hr by double reciprocal plot analysis Gentiana lutea None
Competitive inhibition of Synechococcus phytoene desaturase using decyl plastoquinone as cofactor and phytoene as substrate at 0.1 uM after 2 hr by double reciprocal plot analysis Synechococcus None
Competitive inhibition of Synechococcus phytoene desaturase using NADP as cofactor and phytoene as substrate at 0.1 uM after 2 hr by double reciprocal plot analysis Synechococcus None
Herbicidal activity against Glycine max (soybean) grown in loam soil at pH 5.8 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 1.98 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in slit loam soil at pH 7.6 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 1.68 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in slit loam soil at pH 6.0 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 1.94 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in clay soil at pH 8.0 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 1.04 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in loam soil at pH 5.5 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 0.87 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in sandy clay loam soil at pH 5.7 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 0.43 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in sandy clay loam soil at pH 7.9 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 0.22 mg kg-1
Herbicidal activity against Glycine max (soybean) grown in sandy soil at pH 8.0 assessed as chlorophyll bleaching effect on shoots compound treated to soil measured after 10 days relative to untreated control Glycine max 0.08 mg kg-1
Inhibition of colored carotenoid formation in transgenic Nicotiana tabacum (tobacco) ET4-208 Nicotiana tabacum 100000.0 nM
Inhibition of colored carotenoid formation in Nicotiana tabacum (tobacco) Nicotiana tabacum 330.0 nM
Resistance factor, ratio of I50 for Pantoea ananatis NFZ42 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cell-free assay Pantoea ananatis 23.0
Resistance factor, ratio of I50 for Pantoea ananatis NFZ20 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cell-free assay Pantoea ananatis 12.0
Resistance factor, ratio of I50 for Pantoea ananatis NFZ4 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cell-free assay Pantoea ananatis 15.0
Resistance factor, ratio of I50 for Pantoea ananatis NFZ42 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cellular assay Pantoea ananatis 40.0
Resistance factor, ratio of I50 for Pantoea ananatis NFZ20 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cellular assay Pantoea ananatis 20.0
Resistance factor, ratio of I50 for Pantoea ananatis NFZ4 phytoene desaturase mutant to I50 for wild-type Erwinia uredovora phytoene desaturase by cellular assay Pantoea ananatis 24.0

Cross References

Resources Reference
ChEMBL CHEMBL1881194
FDA SRS KES1HB07E4
PubChem 33775
SureChEMBL SCHEMBL54676
ZINC ZINC00271610
CONTENTS