QUIZALOFOP ETHYL ESTER

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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-UHFFFAOYSA-N
Smiles CCOC(=O)C(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

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
Post-emergent herbicidal activity against Echinochloa crus-galli (barnyard grass) at 50 g/ha measured after 13 days under green house conditions Echinochloa crus-galli 100.0 %
Post-emergent herbicidal activity against Setaria viridis (green foxtail) at <2 g/ha measured after 13 days under green house conditions Setaria viridis None
Post-emergent herbicidal activity against Setaria viridis (green foxtail) at 5 g/ha measured after 13 days under green house conditions Setaria viridis 70.0 %
Post-emergent herbicidal activity against Setaria viridis (green foxtail) at 50 g/ha measured after 13 days under green house conditions Setaria viridis 100.0 %
Post-emergent herbicidal activity against Sorghum halepense (Johnson grass) at <2 g/ha measured after 13 days under green house conditions Sorghum halepense None
Post-emergent herbicidal activity against Sorghum halepense (Johnson grass) at 5 g/ha measured after 13 days under green house conditions Sorghum halepense 85.0 %
Post-emergent herbicidal activity against Sorghum halepense (Johnson grass) at 50 g/ha measured after 13 days under green house conditions Sorghum halepense 100.0 %
Post-emergent herbicidal activity against Avena fatua at <2 g/ha measured after 13 days under green house conditions Avena fatua None
Post-emergent herbicidal activity against Avena fatua at 5 g/ha measured after 13 days under green house conditions Avena fatua 30.0 %
Post-emergent herbicidal activity against Avena fatua at 50 g/ha measured after 13 days under green house conditions Avena fatua 85.0 %
Phytotoxicity against Triticum aestivum (wheat) at two to four-leaf growth stage at <2 g/ha measured after 13 days under green house conditions Triticum aestivum None
Phytotoxicity against Triticum aestivum (wheat) at two to four-leaf growth stage at 5 g/ha measured after 13 days under green house conditions Triticum aestivum 85.0 %
Phytotoxicity against Triticum aestivum (wheat) at two to four-leaf growth stage at 50 g/ha measured after 13 days under green house conditions Triticum aestivum 85.0 %
Phytotoxicity against Oryza sativa (rice) plant at two to four-leaf growth stage at <2 g/ha measured after 13 days under green house conditions Oryza sativa None
Phytotoxicity against Oryza sativa (rice) plant at two to four-leaf growth stage at 5 g/ha measured after 13 days under green house conditions Oryza sativa 50.0 %
Phytotoxicity against Oryza sativa (rice) plant at two to four-leaf growth stage at 50 g/ha measured after 13 days under green house conditions Oryza sativa 70.0 %
Phytotoxicity against Zea mays (maize) plant at two to four-leaf growth stage at <2 g/ha measured after 13 days under green house conditions Zea mays None
Phytotoxicity against Zea mays (maize) plant at two to four-leaf growth stage at 5 g/ha measured after 13 days under green house conditions Zea mays 85.0 %
Phytotoxicity against Zea mays (maize) plant at two to four-leaf growth stage at 50 g/ha measured after 13 days under green house conditions Zea mays 100.0 %
Herbicidal activity against Cyperus rotundus assessed as total dry weight at 0.1 kg/ha applied as spray during post-emergence (Rvb = 4.1 MT/ha) Cyperus rotundus 2.52 MT/ha
Herbicidal activity against Malva sylvestris assessed as total dry weight at 0.1 kg/ha applied as spray during post-emergence (Rvb = 4.1 MT/ha) Malva sylvestris 2.52 MT/ha
Herbicidal activity against Chenopodium murale assessed as total dry weight at 0.1 kg/ha applied as spray during postemergence (Rvb = 4.1 MT/ha) Chenopodium murale 2.52 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.1 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Cyperus rotundus 10.7 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.1 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Malva sylvestris 10.7 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.1 kg/ha applied as spray during postemergence (Rvb = 23.6 MT/ha) Chenopodium murale 10.7 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.1 kg/ha applied as spray during postemergence (Rvb = 7.71 MT/ha) Allium cepa 10.11 MT/ha
Post-emergent herbicidal activity against Echinochloa crus-galli (barnyard grass) at <2 g/ha measured after 13 days under green house conditions Echinochloa crus-galli None
Post-emergent herbicidal activity against Echinochloa crus-galli (barnyard grass) at 5 g/ha measured after 13 days under green house conditions Echinochloa crus-galli 70.0 %

Cross References

Resources Reference
ChEMBL CHEMBL444825
PubChem 53518
SureChEMBL SCHEMBL30406
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