3-(2-BROMOBENZYLOXY)-6-METHYL-4-(3-(TRIFLUOROMETHYL)PHENYL)PYRIDAZINE

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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 QULSVMKLFGCNNH-UHFFFAOYSA-N
Smiles Cc1cc(c(OCc2ccccc2Br)nn1)c3cccc(c3)C(F)(F)F
InChI
InChI=1S/C19H14BrF3N2O/c1-12-9-16(13-6-4-7-15(10-13)19(21,22)23)18(25-24-12)26-11-14-5-2-3-8-17(14)20/h2-10H,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H14BrF3N2O
Molecular Weight 423.23
AlogP 5.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 35.01
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0
Assay Description Organism Bioactivity Reference
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 75 g /ha measured after 24 days by spray method Amaranthus retroflexus None
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 150 g /ha measured after 24 days by spray method Amaranthus retroflexus None
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 300 g /ha measured after 24 days by spray method Amaranthus retroflexus None
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 600 g /ha measured after 24 days by spray method Amaranthus retroflexus None
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition assessed as complete bleaching of leaves at 150 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera None
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition assessed as complete bleaching of leaves at 300 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera None
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition assessed as complete bleaching of leaves at 600 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera None
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 75 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera None
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 150 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 49.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 300 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 73.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 600 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 85.0 %
Post-emergence herbicidal activity against one-leaf stage of Digitaria adscendens under greenhouse condition at 750 g /ha measured after 24 days by spray method Digitaria 3.0 %
Post-emergence herbicidal activity against one-leaf stage of Echinochloa crus-galli (barnyard grass) under greenhouse condition at 750 g /ha measured after 24 days by spray method Echinochloa crus-galli 0.0 %
Post-emergence herbicidal activity against one-leaf stage of Amaranthus retroflexus under greenhouse condition at 750 g /ha measured after 24 days by spray method Amaranthus retroflexus 54.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 750 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 91.0 %
Pre-emergence herbicidal activity against Digitaria adscendens under greenhouse condition at 750 g /ha measured after 24 days by spray method Digitaria 25.0 %
Pre-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) under greenhouse condition at 750 g /ha measured after 24 days by spray method Echinochloa crus-galli 1.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus under greenhouse condition at 750 g /ha measured after 24 days by spray method Amaranthus retroflexus 21.0 %
Pre-emergence herbicidal activity against Brassica rapa subsp. oleifera under greenhouse condition at 750 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 8.0 %
Bleaching herbicidal activity in Spirodela polyrhiza fronds cultured in compound-containing in medium assessed as chlorophyll inhibition at 1 ug/ml after 7 days Spirodela polyrhiza 93.0 %
Bleaching herbicidal activity in Spirodela polyrhiza fronds cultured in compound-containing in medium assessed as chlorophyll inhibition at 10 ug/ml after 7 days Spirodela polyrhiza 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2287755
PubChem 76327392
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