Synonyms
Molecule Category Free-form
UNII N1A4W8U0HH
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 RROQIUMZODEXOR-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)C(NC=O)N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C10H14Cl6N4O2/c11-9(12,13)7(17-5-21)19-1-2-20(4-3-19)8(18-6-22)10(14,15)16/h5-8H,1-4H2,(H,17,21)(H,18,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14Cl6N4O2
Molecular Weight 434.96
AlogP 2.1
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 64.68
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0
Assay Description Organism Bioactivity Reference
Fungicidal activity against Macrophomina phaseolina in non-grafted Melon plants cv. 6405 plots assessed as disease incidence exposed to compound at 250 ml/1000 m2 of commercial product applied as soil drench three times during growing season (Rvb = 65%) Macrophomina phaseolina 25.0 %
Fungicidal activity against Macrophomina phaseolina assessed as mycelial growth inhibition incubated at 27 degC for 5 days Macrophomina phaseolina 1.0 mg.kg-1
Fungicidal activity against Diplodia mutila Q assessed as conidial germination inhibition after 48 hr Diplodia mutila 49.59 mgAi/L
Fungicidal activity against Diplodia mutila F (12)2 assessed as conidial germination inhibition after 48 hr Diplodia mutila 49.59 mgAi/L
Fungicidal activity against Diplodia mutila Iso-2 assessed as conidial germination inhibition after 48 hr Diplodia mutila 49.59 mgAi/L
Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 159.9 mgAi/L
Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 159.9 mgAi/L
Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as conidial germination inhibition after 48 hr Neofusicoccum luteum 159.9 mgAi/L
Fungicidal activity against Neofusicoccum australe J-3 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 126.3 mgAi/L
Fungicidal activity against Neofusicoccum australe Mel-2 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 126.3 mgAi/L
Fungicidal activity against Neofusicoccum australe Kat-1 assessed as conidial germination inhibition after 48 hr Neofusicoccum australe 126.3 mgAi/L
Fungicidal activity against Diplodia mutila Q assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.039 mgAi/L
Fungicidal activity against Diplodia mutila Iso-2 assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.039 mgAi/L
Fungicidal activity against Diplodia mutila F (12)2 assessed as mycelial growth inhibition after 48 hr Diplodia mutila 0.039 mgAi/L
Fungicidal activity against Neofusicoccum luteum M (13)8 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 23.73 mgAi/L
Fungicidal activity against Neofusicoccum luteum N(12)2 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 23.73 mgAi/L
Fungicidal activity against Neofusicoccum luteum G(s)-1 assessed as mycelial growth inhibition after 48 hr Neofusicoccum luteum 23.73 mgAi/L
Fungicidal activity against Neofusicoccum australe J-3 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 28.14 mgAi/L
Fungicidal activity against Neofusicoccum australe Mel-2 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 28.14 mgAi/L
Fungicidal activity against Neofusicoccum australe Kat-1 assessed as mycelial growth inhibition after 48 hr Neofusicoccum australe 28.14 mgAi/L

Cross References

Resources Reference
ChEMBL CHEMBL453418
FDA SRS N1A4W8U0HH
PubChem 33565
SureChEMBL SCHEMBL23278