OXADIAZON

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Synonyms
UNII C6U0E0YTP6
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 CHNUNORXWHYHNE-UHFFFAOYSA-N
Smiles CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H18Cl2N2O3
Molecular Weight 345.22
AlogP 5.22
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 51.13
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against Cyperus rotundus assessed as decrease in total dry weight at 0.75 kg/ha applied as spray during post-emergence relative to weed-infested control Cyperus rotundus 57.0 %
Herbicidal activity against Malva sylvestris assessed as decrease in total dry weight at 0.75 kg/ha applied as spray during post-emergence relative to weed-infested control Malva sylvestris 57.0 %
Herbicidal activity against Chenopodium murale assessed as decrease in total dry weight at 0.75 kg/ha applied as spray during postemergence relative to weed-infested control Chenopodium murale 57.0 %
Herbicidal activity against Cyperus rotundus assessed as total dry weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Cyperus rotundus 2.37 MT/ha
Herbicidal activity against Malva sylvestris assessed as total dry weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Malva sylvestris 2.37 MT/ha
Herbicidal activity against Chenopodium murale assessed as total dry weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 4.1 MT/ha) Chenopodium murale 2.37 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.75 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Malva sylvestris 10.8 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.75 kg/ha applied as spray during post-emergence (Rvb = 23.6 MT/ha) Cyperus rotundus 10.8 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.75 kg/ha applied as spray during postemergence (Rvb = 23.6 MT/ha) Chenopodium murale 10.8 MT/ha
Herbicidal activity against Malva sylvestris assessed as total fresh weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Malva sylvestris 13.3 MT/ha
Herbicidal activity against Cyperus rotundus assessed as total fresh weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Cyperus rotundus 13.3 MT/ha
Herbicidal activity against Chenopodium murale assessed as total fresh weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 23.6 MT/ha) Chenopodium murale 13.3 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.75 kg/ha applied as spray during post-emergence (Rvb = 7.71 MT/ha) Allium cepa 15.69 MT/ha
Phytotoxicity in Allium cepa (onion) seedling assessed as total fresh weight at 0.75 kg/ha applied as spray before seed sowing (Rvb = 7.71 MT/ha) Allium cepa 13.37 MT/ha
Inhibition of chlorophyll biosynthesis of Chlorella salina Chlorella salina 1995.26 nM
Inhibition of autotrophic growth of Chlorella salina Chlorella salina 1000.0 nM
Inhibition of protoporphyrinogen oxidase in Gossypium hirsutum (cotton) seedlings assessed as inhibition of protox preparation in cotyledons Gossypium hirsutum 79.43 nM
Phytotoxicity against Gossypium hirsutum (cotton) seedlings assessed as inhibition of chlorophyll biosynthesis in cotyledons Gossypium hirsutum 199.53 nM
Phytotoxicity against Gossypium hirsutum (cotton) seedlings assessed as damage measured under dark conditions at 100 uM Gossypium hirsutum None
Phytotoxicity against Gossypium hirsutum (cotton) seedlings assessed as cotyledons are killed and stems are partially survived measured under light conditions at 100 uM Gossypium hirsutum None
Solubility of the compound in organis solvent None 250000.0 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound by HPLC analysis None 63100.0
Aqueous solubility of the compound None 0.7 ug.mL-1
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 8.0
Selectivity index, ratio of ED10 for Oryza sativa to ED90 for Echinochloa oryzicola by post-emergence exposure method None 8.0
Post-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings measured after 14 days post treatment Echinochloa oryzicola 50.0 gAi/ha
Pre-emergence herbicidal activity against Echinochloa oryzicola assessed as phytotoxic weed control visual ratings measured after 14 days post treatment Echinochloa oryzicola 25.0 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 40.0 %
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 100.0 %
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 100.0 %
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 100.0 %
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 90.0 %
Lipophilicity, log P of the compound None 4.78

Cross References

Resources Reference
ChEMBL CHEMBL1080648
FDA SRS C6U0E0YTP6
PubChem 29732
SureChEMBL SCHEMBL38813
ZINC ZINC05442490
CONTENTS