ioxynil

Identification (Source:EPA,EU)

ID 974
Name ioxynil
CAS 1689-83-4
IUPAC
Inchi InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
CIPAC 86
EPA Code 353200
Formula C7H3I2NO
SMILES Ic1cc(C#N)cc(I)c1O
Status Approved

Classification

Mode of Action Selective, systemic with contact action, acts by inhibiting photosynthesis at Photosystem II
Pesticide Type Herbicide, Metabolite
Chemical Group Hydroxybenzonitrile
Classification nitrile herbicides

Properties (Source:PubChem)

Molecular Weight 370.91
Physical State White crystalline solid
AlogP 2.623
H-Bond Donor 1
H-Bond Acceptor 2
Surface Area 208.78
Polar Surface Area 44.02

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 24 mg l-1
Aquatic invertebrates Acute 48 hour EC50 3.9 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.013 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.027 mg l-1
Birds Short term dietary LC50/LD50 1346 mg/kg feed
Birds Acute LD50 62 mg kg-1
Earthworms Acute 14 day LD50 > 60 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 20.0 mg kg-1
Fish Acute 96 hour LC50 8.5 mg l-1
Fish Chronic 21 day NOEC 3.2 mg l-1
Honeybees Acute 48 hour LD50 10.1 μg bee-1
Mammals Acute oral LD50 130 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Mammals Short term dietary NOEL 1 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.013 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 29

Related targets

Target Name RScore (About this table)
transthyretins 369(4,5,6,14) Details
nitrilase (protein family or complex) 114(1,2,2,4) Details
protein is 91(1,1,2,6) Details
mitochondrial ATPase 81(1,1,1,1) Details
thyroid hormone receptor alpha 81(1,1,1,1) Details
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