QUIZALOFOP-P-ETHYL

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UNII 1U4923B12R
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 OSUHJPCHFDQAIT-GFCCVEGCSA-N
Smiles CCOC(=O)[C@@H](C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChI
InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O4
Molecular Weight 372.8
AlogP 4.58
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 70.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Phytotoxicity in Vigna angularis (adzuki bean) assessed as crop yield at 144 g ai/ha measured during post emergence applied as spray (Rvb = 2.05 t/ha) Vigna angularis 2.08 tons/ha
Phytotoxicity in Vigna angularis (adzuki bean) assessed as crop yield at 72 g ai/ha measured during post emergence applied as spray (Rvb = 2.05 t/ha) Vigna angularis 2.22 tons/ha
Phytotoxicity in Vigna angularis (adzuki bean) assessed as seed moisture content at 144 g ai/ha after 42 days applied as spray (Rvb = 13.9%) Vigna angularis 14.1 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as seed moisture content at 72 g ai/ha after 42 days applied as spray (Rvb = 13.9%) Vigna angularis 13.9 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as shoot dry weight at 144 g ai/ha measured per 1 m row after 42 days applied as spray (Rvb = 153 g) Vigna angularis 135.0 g
Phytotoxicity in Vigna angularis (adzuki bean) assessed as shoot dry weight at 72 g ai/ha measured per 1 m row after 42 days applied as spray (Rvb = 153 g) Vigna angularis 140.0 g
Phytotoxicity in Vigna angularis (adzuki bean) assessed as plant height at 144 g ai/ha after 28 days applied as spray (RVB = 34 cm) Vigna angularis 33.2 cm
Phytotoxicity in Vigna angularis (adzuki bean) assessed as plant height at 72 g ai/ha after 28 days applied as spray (RVB = 34 cm) Vigna angularis 35.2 cm
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 144 g ai/ha after 28 days applied as spray relative to untreated control Vigna angularis 0.8 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 144 g ai/ha after 14 days applied as spray relative to untreated control Vigna angularis 1.8 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 144 g ai/ha after 7 days applied as spray relative to untreated control Vigna angularis 2.4 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 72 g ai/ha after 28 days applied as spray relative to untreated control Vigna angularis 0.3 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 72 g ai/ha after 14 days applied as spray relative to untreated control Vigna angularis 1.2 %
Phytotoxicity in Vigna angularis (adzuki bean) assessed as visual injury at 72 g ai/ha after 7 days applied as spray relative to untreated control Vigna angularis 1.4 %
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as root growth inhibition at 10 mg/L applied to germinated seeds measured after 65 hr at 28 degC Digitaria sanguinalis 63.5 %
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as root growth inhibition at 50 mg/L applied to germinated seeds measured after 65 hr at 28 degC Digitaria sanguinalis 95.3 %
Herbicidal activity against Digitaria sanguinalis (hairy crabgrass) assessed as root growth inhibition at 100 mg/L applied to germinated seeds measured after 65 hr at 28 degC Digitaria sanguinalis 100.0 %
Herbicidal activity against Brassica napus (oilseed rape) assessed as root growth inhibition at 10 mg/L applied to germinated seeds measured after 65 hr at 28 degC Brassica napus 33.8 %
Herbicidal activity against Brassica napus (oilseed rape) assessed as root growth inhibition at 50 mg/L applied to germinated seeds measured after 65 hr at 28 degC Brassica napus 39.2 %
Herbicidal activity against Brassica napus (oilseed rape) assessed as root growth inhibition at 100 mg/L applied to germinated seeds measured after 65 hr at 28 degC Brassica napus 51.2 %
Resistance index, ratio of ED50 for haloxyfop-R-methyl-resistant Alopecurus japonicus (Japanese foxtail) biotype Js-R to ED50 for haloxyfop-R-methyl-sensitive Alopecurus japonicus (Japanese foxtail) biotype Js-S Alopecurus japonicus 35.87
Herbicidal activity against haloxyfop-R-methyl-sensitive Alopecurus japonicus (Japanese foxtail) biotype Js-S assessed as inhibition of shoot length after 14 days Alopecurus japonicus 0.426 mg/m2
Herbicidal activity against haloxyfop-R-methyl-resistant Alopecurus japonicus (Japanese foxtail) biotype Js-R assessed as inhibition of shoot length after 14 days Alopecurus japonicus 15.28 mg/m2

Cross References

Resources Reference
ChEMBL CHEMBL3138620
FDA SRS 1U4923B12R
PubChem 1617113
SureChEMBL SCHEMBL53466
ZINC ZINC01854181
CONTENTS