Synonyms
UNII 7U370BPS14
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 OEBRKCOSUFCWJD-UHFFFAOYSA-N
Smiles COP(=O)(OC)OC=C(Cl)Cl
InChI
InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl2O4P
Molecular Weight 220.98
AlogP 0.47
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 54.57
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0
Assay Description Organism Bioactivity Reference
Adulticidal activity against female Bemisia tabaci biotype B (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 182.2 ppm
Biotype susceptibility ratio, ratio of LC50 for female adult Bemisia tabaci biotype Q (sweet potato whitefly) to LC50 for female adult Bemisia tabaci biotype B Bemisia tabaci 1.2
Adulticidal activity against female Bemisia tabaci biotype Q (sweet potato whitefly) in cucumber leaves assessed as residual contact toxicity treated for 30 secs before adult insect infestation measured after 24 hr by leaf dip bioassay Bemisia tabaci 223.9 ppm
Residual toxicity against compound treated rice leaves-fed adult Anagrus nilaparvatae assessed as mortality measured on day 3 post insecticide treatment to plant Anagrus None
Acute oral toxicity against female adult Anagrus nilaparvatae in petridish under laboratory conditions assessed as mortality compound treated as emulsible concentrate with acetone and Triton X-100 measured after 2 hr Anagrus 100.0 %
Acute oral toxicity against female adult Anagrus nilaparvatae in petridish under laboratory conditions assessed as mortality compound treated as emulsible concentrate with acetone and Triton X-100 measured after 8 hr Anagrus 100.0 %
Acute contact toxicity against adult Anagrus nilaparvatae assessed as dead parasitoid wasps compound treated for 1 hr measured after 8 hr wash-out period Anagrus 15.95 mgAi/L
Insecticidal activity against Callosobruchus chinensis assessed as mortality at 27 +/- 1 degC and 70% RH Callosobruchus chinensis 155.0 ug.mL-1
Insecticidal activity against Callosobruchus chinensis adults reared on green gram assessed as insect mortality after 24 hr Callosobruchus chinensis 0.00243 mg/cm2
Insecticidal activity against Musca domestica (house fly) after 24 hr Musca domestica 50.0 nM
Insecticidal activity against Rhyzopertha dominica after 24 hr Rhyzopertha dominica 1310.0 nM
Ratio of EC50 for Daphnia magna to EC50 for first instar larvae of Cheumatopsyche brevilineata None -0.77
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 0.00117 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound None 1.9
Insecticidal activity against Daphnia magna after 48 hr Daphnia magna 0.0002 ug.mL-1
Insecticidal activity against Rhyzopertha dominica after 24 hr Rhyzopertha dominica 0.29 ug.mL-1
Insecticidal activity against Musca domestica (house fly) after 24 hr Musca domestica 0.011 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL167911
FDA SRS 7U370BPS14
PubChem 3039
SureChEMBL SCHEMBL25067
ZINC ZINC01853865