isoxaflutole

Identification (Source:EPA,EU)

ID 907
Name isoxaflutole
CAS 141112-29-0
IUPAC
Inchi InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3
CIPAC 575
EPA Code 123000
Formula C15H12F3NO4S
SMILES O=C(c1c(onc1)C2CC2)c3ccc(cc3S(=O)(=O)C)C(F)(F)F
Status Approved

Classification

Mode of Action Broad-spectrum, systemic absorbed by roots and leaves. Acts by indirect carotenoid biosynthesis inhibition.
Pesticide Type Herbicide
Chemical Group Isoxazole
Classification oxazole herbicides
cyclopropylisoxazole herbicides

Properties (Source:PubChem)

Molecular Weight 359.32
Physical State Off-white solid
AlogP 3.059
H-Bond Donor 0
H-Bond Acceptor 4
Surface Area 297.8
Polar Surface Area 85.62

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Acute 72 hour EC50, growth 0.12 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.014 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 1.5 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.35 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.016 mg l-1
Birds Short term dietary LC50/LD50 > 4150 mg/kg feed
Birds Acute LD50 > 2150 mg kg-1
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Chronic 21 day NOEC 0.08 mg l-1
Fish Acute 96 hour LC50 > 1.7 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 2 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.1 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 11

Related targets

Target Name RScore (About this table)
ha 1 37(0,1,2,2) Details
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