UNII PPC78J1VCW
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 WRPIRSINYZBGPK-UHFFFAOYSA-N
Smiles Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
InChI
InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H8Cl2FNO
Molecular Weight 308.13
AlogP 5.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 22.12
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0
Assay Description Organism Bioactivity Reference
Phytotoxicity against Lagenaria siceraria 'Emphasis' rootstock seedlings assessed as severe chlorosis or necrosis on cotyledons Lagenaria siceraria None
Phytotoxicity against inter-specific squash hybrid Cucurbita moschata x Cucurbita maxima (Strong tosa) rootstock seedlings assessed as severe chlorosis or necrosis on cotyledons Cucurbita moschata x Cucurbita maxima None
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity on lower surface areas of cotyledonsat 22.58% in 0.47ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 5.1%) Podosphaera xanthii 0.3 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity on upper surface areas of cotyledonsat 22.58% in 0.47ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 10.2%) Podosphaera xanthii 1.2 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as disease severity at 22.58% in 0.47ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 17.5%) Podosphaera xanthii 1.8 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in inter-specific squash hybrid Strong tosa (Cucurbita moschata x Cucurbita maxima) rootstock seedlings for 7 days prior to drug application assessed as incidence of disease symptoms on hypocotyls or upper or lower sides of cotyledons at 22.58% in 0.47ml/L applied once measured 7 days post-drug dose under greenhouse conditions (water Rvb = 100%) Podosphaera xanthii 14.6 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in squash (Cucurbita pepo) rootstock seedlings continuously after first drug application assessed as disease severity at 22.58% in 0.47ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 3.9%) Podosphaera xanthii 0.43 %
Fungicidal activity against Podosphaera xanthii (powdery mildew) inoculated in squash (Cucurbita pepo) rootstock seedlings continuously after first drug application assessed as incidence of disease symptoms on hypocotyls or upper or lower sides of cotyledons at 22.58% in 0.47ml/L applied thrice at 5-days intervals measured 5 days after third application under green house conditions (water Rvb = 78.9-100%) Podosphaera xanthii 23.4 %
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.5 g a.i./l applied 13 days post-inoculation measured after 6 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator 5.0 %
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.5 g a.i./l applied 13 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 47.6 x 10'3 cm'-2) Erysiphe necator 23.2 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.5 g a.i./l applied 13 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 654) Erysiphe necator 361.0
Antifungal activity against Erysiphe necator biotype B assessed as reduction in mycelial growth at 0.5 g a.i./l applied 4 days post-inoculation measured after 11 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator None
Antifungal activity against Erysiphe necator biotype B assessed as reduction in sporulation at 0.5 g a.i./l applied 4 days post-inoculation measured after 11 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator None
Antifungal activity against Erysiphe necator biotype B assessed as reduction in AUDPC at 0.5 g a.i./l applied 4 days post-inoculation measured after 11 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator None
Antifungal activity against Erysiphe necator biotype B assessed as reduction in disease severity at 0.5 g a.i./l applied 4 days post-inoculation measured after 11 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator None
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.5 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method relative to untreated-control Erysiphe necator 60.0 %
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.5 g a.i./l applied 4 days post-inoculation measured immediately during cycle 1 by leaf-disk method relative to untreated-control Erysiphe necator 24.0 %
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.5 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 44.4 x 10'3 cm'-2) Erysiphe necator 36.9 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.5 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method (Rvb = 844) Erysiphe necator 6373.0
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.5 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method (Rvb = 35.9 x 10'3 cm'-2) Erysiphe necator 10.7 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.5 g a.i./l applied 4 days post-inoculation measured after 14 days during cycle 1 by leaf-disk method (Rvb = 695.6) Erysiphe necator 442.0
Antifungal activity against Erysiphe necator biotype B assessed as reduction in disease severity at 0.5 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method relative to untreated-control Erysiphe necator None
Antifungal activity against Erysiphe necator biotype B assessed as AUDPC at 0.5 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method (Rvb = 394) Erysiphe necator 354.0
Antifungal activity against Erysiphe necator biotype B assessed as number of spores at 0.5 g a.i./l applied 48 hr post-inoculation measured after 14 days by leaf-disk method (Rvb = 43.5 x 10'3 cm'-2) Erysiphe necator 27.3 10'3/cm2
Antifungal activity against Erysiphe necator biotype B assessed as disease severity at 0.5 g a.i./l applied 13 days post-inoculation measured after 14 days during cycle 2 by leaf-disk method relative to untreated-control Erysiphe necator 89.0 %

Cross References

Resources Reference
ChEMBL CHEMBL1869863
FDA SRS PPC78J1VCW
PubChem 3391107
SureChEMBL SCHEMBL22257