Synonyms
UNII F4SX221ILG
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 HPYNBECUCCGGPA-UHFFFAOYSA-N
Smiles CCOc1ccc(cc1)[Si](C)(C)CCCc2ccc(F)c(Oc3ccccc3)c2
InChI
InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29FO2Si
Molecular Weight 408.58
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None
Assay Description Organism Bioactivity Reference
Residual toxicity against compound treated rice leaves-fed adult Anagrus nilaparvatae assessed as mortality measured on day 7 post insecticide treatment to plant Anagrus 1.1 %
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 37.6 %
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 14.22 mgAi/L
Ratio of EC50 for Daphnia magna to EC50 for first instar larvae of Cheumatopsyche brevilineata None 0.3
Insecticidal activity against first-instar larvae of Cheumatopsyche brevilineata after 48 hr Cheumatopsyche 0.0006 ug.mL-1
Octanol-water partition coefficient, log KOW of the compound None 8.2
Insecticidal activity against Daphnia magna after 48 hr Daphnia magna 0.0012 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL493481
FDA SRS F4SX221ILG
PubChem 92430
SureChEMBL SCHEMBL27295