Synonyms
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 CFZLNRGUBAVQNO-UHFFFAOYSA-N
Smiles Clc1cc(Cl)cc(c1)N2C(=O)CCC2=O
InChI
InChI=1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Cl2NO2
Molecular Weight 244.07
AlogP 2.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 37.38
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Sclerotinia sclerotiorum in oilseed rape field assessed as disease control at 690/ha measured 1 week before harvest Sclerotinia sclerotiorum 44.6 %
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum CZ57-2 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 151.72 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum CZ57-3 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 124.81 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum ZJ288-3 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 67.99 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum CZ57-1 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 166.4 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum ZJ288-2 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 86.83 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum SZ48 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.364 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-resistant Sclerotinia sclerotiorum ZJ288-1 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 92.37 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum ZJ47 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.367 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum TZ83 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.335 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum YC35 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.306 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum ZJ44 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.317 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum CZ57 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.406 ug.mL-1
Antifungal activity against carbendazim-resistant and dimethachlon-sensitive Sclerotinia sclerotiorum ZJ288 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.397 ug.mL-1
Antifungal activity against carbendazim and dimethachlon-sensitive Sclerotinia sclerotiorum SZ47 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.321 ug.mL-1
Antifungal activity against carbendazim and dimethachlon-sensitive Sclerotinia sclerotiorum SZ62 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.351 ug.mL-1
Antifungal activity against carbendazim and dimethachlon-sensitive Sclerotinia sclerotiorum YZ116 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.346 ug.mL-1
Antifungal activity against carbendazim and dimethachlon-sensitive Sclerotinia sclerotiorum YZ114 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.365 ug.mL-1
Antifungal activity against carbendazim and dimethachlon-sensitive Sclerotinia sclerotiorum YZ112 assessed as inhibition of mycelial growth after 2 days Sclerotinia sclerotiorum 0.401 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL561915
PubChem 90363
SureChEMBL SCHEMBL410360
ZINC ZINC00101420