Synonyms
UNII ENS9J0YM16
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 MUJOIMFVNIBMKC-UHFFFAOYSA-N
Smiles FC1(F)Oc2cccc(c2O1)c3c[nH]cc3C#N
InChI
InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6F2N2O2
Molecular Weight 248.19
AlogP 4.12
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 58.04
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Botryotinia fuckeliana infected in compound pre-treated tomato plant seedlings assessed as tomato gray mold disease control efficacy at 50 ug/mL measured 3 days post fungus inoculation under greenhouse conditions Botryotinia fuckeliana 100.0 %
Antifungal activity against Botryotinia fuckeliana infected in compound pre-treated tomato plant seedlings assessed as tomato gray mold disease control efficacy at 5 ug/mL measured 3 days post fungus inoculation under greenhouse conditions Botryotinia fuckeliana 82.0 %
In vivo antifungal activity against Botryotinia fuckeliana infected in tomato seedlings assessed as control of tomato gray mold disease development at 5 ug/ml treated 1 day before spore inoculation measured 3-7 days after inoculation Botryotinia fuckeliana 83.0 %
In vivo antifungal activity against Botryotinia fuckeliana infected in tomato seedlings assessed as control of tomato gray mold disease development at 50 ug/ml treated 1 day before spore inoculation measured 3-7 days after inoculation Botryotinia fuckeliana 100.0 %
Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as inhibition of mycelial radial growth Rhizoctonia solani AG-1 IA 0.161 mg/L Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as inhibition of mycelial radial growth Rhizoctonia solani AG-1 IA 0.003 ug.mL-1
Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as mycelial radial growth at 100 mg/l (Rvb = 40 mm) Rhizoctonia solani AG-1 IA 0.0 mm
Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as mycelial radial growth at 1 mg/l (Rvb = 40 mm) Rhizoctonia solani AG-1 IA 0.0 mm
Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as mycelial radial growth at 10 mg/l (Rvb = 40 mm) Rhizoctonia solani AG-1 IA 0.0 mm
Fungicidal activity against Rhizoctonia solani AG-1 IA assessed as mycelial radial growth at 0.1 mg/l (Rvb = 40 mm) Rhizoctonia solani AG-1 IA 7.1 mm
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HL64R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HQ31R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HN49R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HD10R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HQ12R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HN100R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale two generation induced iprodione-resistant wheat field isolate HQ3R assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 100.0 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HL64 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.022 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HQ31 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.026 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HN49 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.026 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HD10 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.05 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HQ12 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.032 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HN100 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.024 ug.mL-1
Antifungal activity against Ceratobasidium cereale iprodione-sensitive wheat field isolate HQ3 assessed as mycelial growth inhibition in potato dextrose agar media at 25 degC measured after 3 days Ceratobasidium cereale 0.015 ug.mL-1
Antifungal activity against Ceratobasidium cereale wheat field isolate assessed as mycelial growth inhibition at 25 degC measured after 3 days Ceratobasidium cereale 0.033 ug.mL-1
Effect on total nonphotochemical quenching in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera None
Effect on photochemical quenching in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera None
Fungicidal activity against Monilinia laxa isolate MLX1 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 21.09 %
Fungicidal activity against Monilinia laxa isolate MLP4 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 13.89 %
Fungicidal activity against Monilinia laxa isolate MLK12 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 12.78 %
Fungicidal activity against Monilinia laxa isolate MLK1 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 13.66 %
Fungicidal activity against Monilinia laxa isolate MLC2 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 18.3 %
Effect on maximum efficiency of PSII photochemistry after dark-adaptation in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera None
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in Hill reaction activity 6 mM measured 7 days post compound application relative to untreated control Vitis vinifera 36.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in relative quantum yield of photo system 2 at 6 mM measured 7 days post compound application relative to untreated control Vitis vinifera 7.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in relative quantum yield of photo system 2 at 30 mM measured 7 days post compound application relative to untreated control Vitis vinifera 10.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in relative quantum yield of photo system 2 at 1.2 mM measured 7 days post compound application relative to untreated control Vitis vinifera 10.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as increase in mitochondrial respiration in the light at 30 mM measured 7 days post compound application relative to untreated control Vitis vinifera 3.5
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as increase in CO2 compensation point at 30 mM measured 7 days post compound application relative to untreated control Vitis vinifera 3.3
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as increase in ratio of apparent quantum yield of photo system 2 to apparent quantum yield yield of CO2 fixation at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera 50.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as change in light compensation point at 6 mM measured 7 days post compound application Vitis vinifera 20.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in dark respiration at 1.2 mM measured 7 days post compound application Vitis vinifera 30.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in apparent quantum yield of CO2 fixation at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera 30.0 %
Effect on stomatal conductance in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 7 days post compound application Vitis vinifera None
Toxicity in Vitis vinifera cv. Pinot noir assessed as effect on gas exchanges at 1.2 to 30 mM measured 14 days post compound application Vitis vinifera None
Toxicity in Vitis vinifera cv. Pinot noir assessed as effect on gas exchanges at 1.2 to 30 mM measured 10 days post compound application Vitis vinifera None
Increase in intracellular CO2 level in Vitis vinifera cv. Pinot noir at 1.2 mM measured 7 days post compound application Vitis vinifera 13.0 %
Increase in intracellular CO2 level in Vitis vinifera cv. Pinot noir at 30 mM measured 7 days post compound application Vitis vinifera 20.0 %
Increase in intracellular CO2 level in Vitis vinifera cv. Pinot noir at 6 mM measured 7 days post compound application Vitis vinifera 20.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in net photosynthetic rate at 6 mM measured 7 days post compound application Vitis vinifera 65.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in net photosynthetic rate at 30 mM measured 7 days post compound application Vitis vinifera 38.0 %
Effect on net photosynthetic rate in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 2 to 4 days post compound application Vitis vinifera None
Effect on intracellular CO2 level in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 1 day post compound application Vitis vinifera None
Effect on stomatal conductance in Vitis vinifera cv. Pinot noir at 1.2 to 30 mM measured 1 day post compound application Vitis vinifera None
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in net photosynthetic rate at 30 mM measured 1 day post compound application Vitis vinifera None
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in net photosynthetic rate at 6 mM measured 1 day post compound application Vitis vinifera None
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as reduction in net photosynthetic rate at 1.2 mM measured 1 day post compound application Vitis vinifera 30.0 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as ratio of apparent quantum yield of photo system 2 to apparent quantum yield yield of CO2 fixation at 30 mM measured 7 days post compound application (Rvb = 10 +/- 1.7 no unit) Vitis vinifera 19.2
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as ratio of apparent quantum yield of photo system 2 to apparent quantum yield yield of CO2 fixation at 6 mM measured 7 days post compound application (Rvb = 10 +/- 1.7 no unit) Vitis vinifera 16.3
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as ratio of apparent quantum yield of photo system 2 to apparent quantum yield yield of CO2 fixation at 1.2 mM measured 7 days post compound application (Rvb = 10 +/- 1.7 no unit) Vitis vinifera 17.4
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as PPFD-saturated net CO2 assimilation rate at 30 mM measured 7 days post compound application (Rvb = 8.9 +/- 1.5 umol/m2/s) Vitis vinifera 9.4 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as PPFD-saturated net CO2 assimilation rate at 6 mM measured 7 days post compound application (Rvb = 8.9 +/- 1.5 umol/m2/s) Vitis vinifera 7.6 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as PPFD-saturated net CO2 assimilation rate at 1.2 mM measured 7 days post compound application (Rvb = 8.9 +/- 1.5 umol/m2/s) Vitis vinifera 7.7 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as light compensation point at 30 mM measured 7 days post compound application (Rvb = 22.6 +/- 3.1 umol/mol) Vitis vinifera 37.0 umol/mol
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as light compensation point at 6 mM measured 7 days post compound application (Rvb = 22.6 +/- 3.1 umol/mol) Vitis vinifera 27.7 umol/mol
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as light compensation point at 1.2 mM measured 7 days post compound application (Rvb = 22.6 +/- 3.1 umol/mol) Vitis vinifera 19.8 umol/mol
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as dark respiration at 30 mM measured 7 days post compound application (Rvb = 1.6 +/- 0.0 umol/m2/s) Vitis vinifera 1.4 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as dark respiration at 6 mM measured 7 days post compound application (Rvb = 1.6 +/- 0.0 umol/m2/s) Vitis vinifera 1.2 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as dark respiration at 1.2 mM measured 7 days post compound application (Rvb = 1.6 +/- 0.0 umol/m2/s) Vitis vinifera 0.8 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as apparent quantum yield of CO2 fixation at 30 mM measured 7 days post compound application (Rvb = 0.07 +/- 0.01 no unit) umol/m2/s) Vitis vinifera 0.04
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as apparent quantum yield of CO2 fixation at 6 mM measured 7 days post compound application (Rvb = 0.07 +/- 0.01 no unit) umol/m2/s) Vitis vinifera 0.04
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as mitochondrial respiration in the light at 30 mM measured 7 days post compound application (Rvb = 3.2 +/- 0.5 umol/m2/s) Vitis vinifera 12.6 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as mitochondrial respiration in the light at 6 mM measured 7 days post compound application (Rvb = 3.2 +/- 0.5 umol/m2/s) Vitis vinifera 3.6 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as CO2 compensation point at 30 mM measured 7 days post compound application (Rvb = 74.8 +/- 12.7 umol/mol) Vitis vinifera 267.0 umol/mol
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as CO2 compensation point at 6 mM measured 7 days post compound application (Rvb = 74.8 +/- 12.7 umol/mol) Vitis vinifera 82.2 umol/mol
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as in vivo maximum rate of rubisco carboxylation at 30 mM measured 7 days post compound application (Rvb = 42.8 +/- 3.2 umol/m2/s) Vitis vinifera 46.7 micromol/m2/s
Fungicidal activity against Monilinia laxa isolate MLX5 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 17.5 %
Fungicidal activity against Monilinia laxa isolate MLP2 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 16.05 %
Fungicidal activity against Monilinia laxa isolate MLBO5 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 11.01 %
Fungicidal activity against Monilinia laxa isolate MLBO2 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 17.99 %
Fungicidal activity against Monilinia laxa isolate MLA1 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 16.22 %
Fungicidal activity against Monilinia laxa isolate MLG1 assessed as mycelial growth at 0.05 ug/ml at 25 degC after 4 days Monilinia laxa 15.05 %
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as in vivo maximum rate of rubisco carboxylation at 6 mM measured 7 days post compound application (Rvb = 42.8 +/- 3.2 umol/m2/s) Vitis vinifera 44.1 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as in vivo maximum rate of rubisco carboxylation at 1.2 mM measured 7 days post compound application (Rvb = 42.8 +/- 3.2 umol/m2/s) Vitis vinifera 38.0 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as intercellular CO2 concentration-saturated net CO2 assimilation rate at 30 mM measured 7 days post compound application (Rvb = 11.3 +/- 0.8 umol/m2/s) Vitis vinifera 12.2 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as intercellular CO2 concentration-saturated net CO2 assimilation rate at 6 mM measured 7 days post compound application (Rvb = 11.3 +/- 0.8 umol/m2/s) Vitis vinifera 11.5 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as intercellular CO2 concentration-saturated net CO2 assimilation rate at 1.2 mM measured 7 days post compound application (Rvb = 11.3 +/- 0.8 umol/m2/s) Vitis vinifera 11.3 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as apparent quantum yield of CO2 fixation at 1.2 mM measured 7 days post compound application (Rvb = 0.07 +/- 0.01 no unit) umol/m2/s) Vitis vinifera 0.01
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as mitochondrial respiration in the light at 1.2 mM measured 7 days post compound application (Rvb = 3.2 +/- 0.5 umol/m2/s) Vitis vinifera 3.2 micromol/m2/s
Inhibition of photosynthesis in Vitis vinifera cv. Pinot noir assessed as CO2 compensation point at 1.2 mM measured 7 days post compound application (Rvb = 74.8 +/- 12.7 umol/mol) Vitis vinifera 84.9 umol/mol
Antifungal activity against Blumeria graminis in wheat plant assessed as lesion area of the disease at 500 ug/ml after 10 days Blumeria graminis None
Antifungal activity against Puccinia recondita in wheat plant assessed as lesion area of the disease at 500 ug/ml after 10 days Puccinia recondita None
Antifungal activity against Pseudoperonospora cubensis in cucumber assessed as lesion area of the disease at 500 ug/ml after 7 days Pseudoperonospora cubensis None
Antifungal activity against Botryotinia fuckeliana in cucumber cotyledon assessed as lesion area of the disease at 500 ug/ml after 4 days Botryotinia fuckeliana 0.0 %
Antifungal activity against Botryotinia fuckeliana in Kidney bean assessed as Kidney bean gray mold diseased pods in field trials at 200 ug/ml 3 applications at 9 days intervals (Rvb = 21%) Botryotinia fuckeliana None
Antifungal activity against Botryotinia fuckeliana in Eggplant seedlings assessed as Eggplant gray mold diseased flowers and fruits in field trials at 200 ug/ml 3 applications at 7 days intervals (Rvb = 52.7%) Botryotinia fuckeliana 16.8 %
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.03 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-3 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.01 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-7 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.01 ug.mL-1
Fungitoxicity against highly fenhexamid resistant Monilinia laxa MF-5 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.01 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-4 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.03 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-22 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.02 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-8 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.05 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-6 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.02 ug.mL-1
Fungitoxicity against moderately fenhexamid resistant Monilinia laxa MF-1 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.02 ug.mL-1
Fungitoxicity against wild type Monilinia laxa K2 assessed as reduction in mycelial growth measured at 25 degC after 4 days Monilinia laxa 0.01 ug.mL-1
Antifungal activity against Botryotinia fuckeliana inoculated in strawberry fruit Botryotinia fuckeliana 0.003 ug.mL-1

Cross References

Resources Reference
ChEMBL CHEMBL485833
FDA SRS ENS9J0YM16
PubChem 86398
SureChEMBL SCHEMBL22172
ZINC ZINC02381595