BUTACHLOR

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Synonyms
UNII 94NU90OO5K
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 HKPHPIREJKHECO-UHFFFAOYSA-N
Smiles CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClNO2
Molecular Weight 311.85
AlogP 4.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Herbicidal activity against annual broad-leaf weeds assessed as killing at 10 g/a at 25 degC measured after 3 weeks None 100.0 %
Herbicidal activity against Monochoria vaginalis assessed as killing at 10 g/a at 25 degC measured after 3 weeks Monochoria vaginalis 100.0 %
Herbicidal activity against Schoenoplectiella juncoides assessed as killing at 10 g/a at 25 degC measured after 3 weeks Schoenoplectiella juncoides 100.0 %
Herbicidal activity against Cyperus difformis assessed as killing at 10 g/a at 25 degC measured after 3 weeks Cyperus difformis 100.0 %
Herbicidal activity against Echinochloa oryzicola assessed as killing at 10 g/a at 25 degC measured after 3 weeks Echinochloa oryzicola 100.0 %
Effect on Oryza sativa (rice) plant growth in transplanted Oryza sativa field assessed as number of tillers at 1500 g/ha treated after 7 days transplanting Oryza sativa 93.0 %
Effect on Oryza sativa (rice) plant growth in transplanted Oryza sativa field assessed as number of tillers at 1500 g/ha treated after 3 days transplanting Oryza sativa 99.0 %
Effect on Oryza sativa (rice) plant growth in transplanted Oryza sativa field assessed as plant height at 1500 g/ha treated after 7 days transplanting Oryza sativa 103.0 %
Effect on Oryza sativa (rice) plant growth in transplanted Oryza sativa field assessed as plant height at 1500 g/ha treated after 3 days transplanting Oryza sativa 106.0 %
Herbicidal activity against Cyperus serotinus assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting Cyperus serotinus 70.0 %
Herbicidal activity against Sagittaria pygmaea assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting Sagittaria pygmaea 20.0 %
Herbicidal activity against broadleaf weed assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting None 83.0 %
Herbicidal activity against Monochoria vaginalis assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting Monochoria vaginalis 43.0 %
Herbicidal activity against Schoenoplectiella juncoides assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting Schoenoplectiella juncoides 88.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as weed control in transplanted rice field at 1500 g/ha treated after 7 days transplanting Echinochloa crus-galli 100.0 %
Herbicidal activity against Cyperus serotinus assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting Cyperus serotinus 63.0 %
Herbicidal activity against Sagittaria pygmaea assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting Sagittaria pygmaea 27.0 %
Herbicidal activity against broadleaf weed assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting None 100.0 %
Herbicidal activity against Monochoria vaginalis assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting Monochoria vaginalis 90.0 %
Herbicidal activity against Schoenoplectiella juncoides assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting Schoenoplectiella juncoides 100.0 %
Herbicidal activity against Echinochloa crus-galli (barnyard grass) assessed as weed control in transplanted rice field at 1500 g/ha treated after 3 days transplanting Echinochloa crus-galli 98.0 %
Drug degradation in Aspergillus niger van Tieghem grown on sucrose-containing Czapek-Dox medium at 20 ppm after 7 days Aspergillus niger None

Cross References

Resources Reference
ChEMBL CHEMBL1399036
FDA SRS 94NU90OO5K
PubChem 31677
SureChEMBL SCHEMBL65784
CONTENTS