3-(3,4-DICHLOROPHENOXY)-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 DJDMVFBCPFVIES-UHFFFAOYSA-N
Smiles Cc1cc(c(Oc2ccc(Cl)c(Cl)c2)nn1)c3cccc(c3)C(F)(F)F
InChI
InChI=1S/C18H11Cl2F3N2O/c1-10-7-14(11-3-2-4-12(8-11)18(21,22)23)17(25-24-10)26-13-5-6-15(19)16(20)9-13/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H11Cl2F3N2O
Molecular Weight 399.19
AlogP 6.38
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
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 7.5 g /ha measured after 24 days by spray method Amaranthus retroflexus 32.0 %
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 15 g /ha measured after 24 days by spray method Amaranthus retroflexus 34.0 %
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 30 g /ha measured after 24 days by spray method Amaranthus retroflexus 42.0 %
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition at 60 g /ha measured after 24 days by spray method Amaranthus retroflexus 47.0 %
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 85.0 %
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 100.0 %
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 100.0 %
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 100.0 %
Post-emergence herbicidal activity against one-leaf stage Amaranthus retroflexus under greenhouse condition assessed as complete bleaching of leaves at 7.5 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 assessed as complete bleaching of leaves at 15 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 assessed as complete bleaching of leaves at 30 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 assessed as complete bleaching of leaves at 60 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 assessed as complete bleaching of leaves 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 assessed as complete bleaching of leaves 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 assessed as complete bleaching of leaves 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 assessed as complete bleaching of leaves 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 7.5 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 15 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 30 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 60 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 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 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 7.5 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 58.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 15 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 89.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 30 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 100.0 %
Post-emergence herbicidal activity against one-leaf stage Brassica rapa subsp. oleifera under greenhouse condition at 60 g /ha measured after 24 days by spray method Brassica rapa subsp. oleifera 100.0 %
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 100.0 %
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 100.0 %
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 100.0 %
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 100.0 %
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 100.0 %
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 87.0 %
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 100.0 %
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 100.0 %
Pre-emergence herbicidal activity against Digitaria adscendens under greenhouse condition at 750 g /ha measured after 24 days by spray method Digitaria 6.0 %
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 19.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus under greenhouse condition at 750 g /ha measured after 24 days by spray method Amaranthus retroflexus 0.0 %
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 27.0 %
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 96.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2288006
PubChem 76327411
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