Synonyms
UNII FNP3S9MG30
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 PANBRUWVURLWGY-MDZDMXLPSA-N
Smiles CCCCCCCC\C=C\C=O
InChI
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O
Molecular Weight 168.28
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0
Assay Description Organism Bioactivity Reference
Nematicidal Activity against Meloidogyne javanica (root-knot nematode) assessed as death/paralysis of nematodes at 1 hr after immersion in test solution Meloidogyne javanica 25.0 ug.mL-1
Nematicidal Activity against Meloidogyne javanica (root-knot nematode) assessed as death/paralysis of nematodes at 1 day after immersion in test solution Meloidogyne javanica 25.0 ug.mL-1
Nematicidal activity against Bursaphelenchus xylophilus at 0.5 mg/ml measured after 48 hr under microscope Bursaphelenchus xylophilus 24.8 %

Cross References

Resources Reference
ChEMBL CHEMBL451328
FDA SRS FNP3S9MG30
PubChem 5283356
SureChEMBL SCHEMBL107550