FENOBUCARB

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Synonyms
Molecule Category Free-form
UNII 5MS2P7M0CF
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 DIRFUJHNVNOBMY-UHFFFAOYSA-N
Smiles CCC(C)c1ccccc1OC(=O)NC
InChI
InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H17NO2
Molecular Weight 207.27
AlogP 3.24
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 26-12000 - - -
Enzyme
- 26-12000 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- 12000 - - -
Laodelphax striatella
- 26-140 - - -
Musca domestica
- 1400 - - -
Nephotettix cincticeps
- 180 - - -

Cross References

Resources Reference
ChEMBL CHEMBL226650
FDA SRS 5MS2P7M0CF
PubChem 19588
SureChEMBL SCHEMBL73674
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