TOLFENPYRAD

/static/temp/default.svg Search structure
Molecule Category Free-form
UNII OHA74571QT
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 WPALTCMYPARVNV-UHFFFAOYSA-N
Smiles CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl
InChI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22ClN3O2
Molecular Weight 383.87
AlogP 5.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 56.15
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 27.0
Assay Description Organism Bioactivity Reference
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 110 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 55 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 22 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 11 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 5.5 mg/kg at 25 +/- 1 degC after 3 days Helicoverpa armigera 70.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 600 mg/kg by leaf dip method Plutella xylostella 100.0 %
Stomach toxicity against Plutella xylostella (diamondback moth) assessed as larvicidal activity at 200 mg/kg by leaf dip method Plutella xylostella 100.0 %
Stomach toxicity against third-instars Helicoverpa armigera assessed as larvicidal activity at 25 +/- 1 degC after 3 days Helicoverpa armigera 2.47 mg kg-1
Acute toxicity in Mus musculus (mouse) Mus musculus 100.0 mg.kg-1
Insecticidal activity against Plutella xylostella (diamondback moth) assessed as insect mortality at 0.78 ppm Plutella xylostella 0.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) assessed as insect mortality at 3.13 ppm Plutella xylostella 30.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) assessed as insect mortality at 12.5 ppm Plutella xylostella 100.0 %
Insecticidal activity against Plutella xylostella (diamondback moth) assessed as insect mortality at 50 ppm Plutella xylostella 100.0 %
Insecticidal activity against Myzus persicae (green peach aphid) assessed as insect mortality at 0.78 ppm Myzus persicae 30.0 %
Insecticidal activity against Myzus persicae (green peach aphid) assessed as insect mortality at 3.13 ppm Myzus persicae 100.0 %
Insecticidal activity against Myzus persicae (green peach aphid) assessed as insect mortality at 12.5 ppm Myzus persicae 100.0 %
Insecticidal activity against Myzus persicae (green peach aphid) assessed as insect mortality at 50 ppm Myzus persicae 100.0 %
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 3.1 ppm applied through spray measured after 4 days Nephotettix cincticeps 30.0 %
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 12.5 ppm applied through spray measured after 4 days Nephotettix cincticeps 100.0 %
Insecticidal activity against green rice Nephotettix cincticeps (green rice leafhopper) third-instar larvae assessed as mortality at 50 ppm applied through spray measured after 4 days Nephotettix cincticeps 100.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2229099
FDA SRS OHA74571QT
PubChem 10110536
SureChEMBL SCHEMBL26416
CONTENTS