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 XFOQLWDWHVRVTR-DHZHZOJOSA-N
Smiles [O-][N+](=O)\C=C\1/NCCN1Cc2ccc(nc2)C#N
InChI
InChI=1S/C11H11N5O2/c12-5-10-2-1-9(6-14-10)7-15-4-3-13-11(15)8-16(17)18/h1-2,6,8,13H,3-4,7H2/b11-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H11N5O2
Molecular Weight 245.24
AlogP 0.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 97.76
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Insecticidal activity against Nephotettix cincticeps (green rice leafhopper) assessed as mortality measured after 4 days Nephotettix cincticeps 200.0 ppm
Insecticidal activity against Nephotettix cincticeps (green rice leafhopper) measured after 5 days Nephotettix cincticeps 200.0 ppm

Cross References

Resources Reference
ChEMBL CHEMBL2252163
PubChem 13933561
SureChEMBL SCHEMBL9839915