PENTOXAZONE

/static/temp/default.svg Search structure
UNII 8LW0PP7NLI
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 JZPKLLLUDLHCEL-UHFFFAOYSA-N
Smiles CC(=C1OC(=O)N(C1=O)c2cc(OC3CCCC3)c(Cl)cc2F)C
InChI
InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H17ClFNO4
Molecular Weight 353.77
AlogP 4.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 55.84
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Pre-emergence herbicidal activity against Rotala indica assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Rotala indica 100.0 %
Pre-emergence herbicidal activity against Elatine triandra assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Elatine triandra 100.0 %
Selectivity index, ratio of ED10 for Oryza sativa to ED90 for Echinochloa oryzicola by pre-emergence exposure method None 16.0
Selectivity index, ratio of ED10 for Oryza sativa to ED90 for Echinochloa oryzicola by post-emergence exposure method None 16.0
Post-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings measured after 14 days post treatment Echinochloa oryzicola 25.0 gAi/ha
Pre-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings measured after 14 days post treatment Echinochloa oryzicola 12.5 gAi/ha
Pre-emergence phytotoxicity against Oryza sativa cv. Koshihikari (rice) assessed as phytotoxic crop injury visual ratings measured after 14 days post treatment Oryza sativa 200.0 gAi/ha
Post-emergence phytotoxicity against Oryza sativa cv. Koshihikari (rice) assessed as phytotoxic crop injury visual ratings measured after 14 days post treatment Oryza sativa 400.0 gAi/ha
Pre-emergence phytotoxicity against Zea mays (maize) assessed as phytotoxic crop injury visual ratings at 500 g ai/ha measured after 14 days post treatment under upland field conditions Zea mays 10.0 %
Pre-emergence herbicidal activity against Chenopodium album assessed as phytotoxic weed control visual ratings at 500 g ai/ha measured after 14 days post treatment under upland field conditions Chenopodium album 50.0 %
Pre-emergence herbicidal activity against Amaranthus viridis assessed as phytotoxic weed control visual ratings at 500 g ai/ha measured after 14 days post treatment under upland field conditions Amaranthus viridis 100.0 %
Pre-emergence herbicidal activity against Digitaria ciliaris assessed as phytotoxic weed control visual ratings at 500 g ai/ha measured after 14 days post treatment under upland field conditions Digitaria ciliaris 90.0 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as phytotoxic weed control visual ratings at 500 g ai/ha measured after 14 days post treatment under upland field conditions Echinochloa crus-galli 60.0 %
Pre-emergence herbicidal activity against Schoenoplectiella juncoides assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Schoenoplectiella juncoides 100.0 %
Pre-emergence phytotoxicity against Oryza sativa cv. Koshihikari (rice) assessed as phytotoxic crop injury visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Oryza sativa 0.0 %
Pre-emergence herbicidal activity against Monochoria vaginalis assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Monochoria vaginalis 100.0 %
Pre-emergence herbicidal activity against Lindernia procumbens assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Lindernia procumbens 100.0 %
Pre-emergence herbicidal activity against Cyperus difformis assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Cyperus difformis 100.0 %
Pre-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings at 25 g ai/ha measured after 14 days post treatment under flooded conditions Echinochloa oryzicola 100.0 %
Inhibition of light-induced ethane formation in Scenedesmus acutus after 20 hr Scenedesmus acutus 630.96 nM
Inhibition of protoporphyrinogen IX oxidase in Zea mays (maize) seed after 5 min by Dixon plot analysis Zea mays 5.25 nM

Cross References

Resources Reference
ChEMBL CHEMBL2269481
FDA SRS 8LW0PP7NLI
PubChem 11714234
SureChEMBL SCHEMBL38904
CONTENTS