4-(6-METHYL-4-(3-(TRIFLUOROMETHYL)PHENYL)PYRIDAZIN-3-YLOXY)BENZONITRILE

/static/temp/default.svg Search structure
Molecule Category Free-form
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 VKIMKQZHWCVULC-UHFFFAOYSA-N
Smiles Cc1cc(c(Oc2ccc(cc2)C#N)nn1)c3cccc(c3)C(F)(F)F
InChI
InChI=1S/C19H12F3N3O/c1-12-9-17(14-3-2-4-15(10-14)19(20,21)22)18(25-24-12)26-16-7-5-13(11-23)6-8-16/h2-10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H12F3N3O
Molecular Weight 355.31
AlogP 4.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 58.8
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 34.0 %
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 37.0 %
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 38.0 %
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 42.0 %
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 99.0 %
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 41.0 %
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 47.0 %
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 57.0 %
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 89.0 %
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 90.0 %
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 95.0 %
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 98.0 %
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 99.0 %
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 99.0 %
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 83.0 %
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 96.0 %
Pre-emergence herbicidal activity against Digitaria adscendens under greenhouse condition at 750 g /ha measured after 24 days by spray method Digitaria 99.0 %
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 91.0 %
Pre-emergence herbicidal activity against Amaranthus retroflexus under greenhouse condition at 750 g /ha measured after 24 days by spray method Amaranthus retroflexus 99.0 %
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 100.0 %
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 87.0 %
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 93.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2288010
PubChem 76312963
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