PRETILACHLOR

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UNII 617K7LM10D
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 YLPGTOIOYRQOHV-UHFFFAOYSA-N
Smiles CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClNO2
Molecular Weight 311.85
AlogP 4.32
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
Light dependent herbicidal activity against Echinochloa oryzicola seedlings assessed as inhibition of seedlings growth at 10 ppm measured after 6 days post compound application under greenhouse conditions at 25 +/- 2 degC under dark conditions Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as time duration of residual effect at 500 g /ha Echinochloa oryzicola 16.0 day
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as time duration of residual effect at 125 g /ha Echinochloa oryzicola 6.0 day
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as time duration of residual effect at 500 g /ha Echinochloa oryzicola 27.0 day
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as time duration of residual effect at 125 g /ha Echinochloa oryzicola 13.0 day
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 42 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 33 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 27 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 20 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 13 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 6 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 42 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 33 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 27 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 13 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 20 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola grown in water-drained pot under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 6 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 42 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 27 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 33 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 20 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 13 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 500 g /ha measured after 6 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 42 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 33 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 27 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 20 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 6 days Echinochloa oryzicola None
Herbicidal activity against Echinochloa oryzicola under greenhouse condition assessed as growth inhibition at 125 g /ha measured after 13 days Echinochloa oryzicola None

Cross References

Resources Reference
ChEMBL CHEMBL1867271
FDA SRS 617K7LM10D
PubChem 91644
SureChEMBL SCHEMBL63720
ZINC ZINC02531043
CONTENTS