(Z)-11-TETRADECENYL TRIFLUOROMETHYL KETONE

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Molecule Category Free-form
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 VXHRRTDMUPBLQQ-ARJAWSKDSA-N
Smiles CC\C=C/CCCCCCCCCCC(=O)C(F)(F)F
InChI
InChI=1S/C16H27F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(20)16(17,18)19/h3-4H,2,5-14H2,1H3/b4-3-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H27F3O
Molecular Weight 292.38
AlogP 6.68
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 17.07
Heavy Atoms 20.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ostrinia nubilalis
- 280 - - -

Cross References

Resources Reference
ChEMBL CHEMBL2230043
PubChem 14939064
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