propanil

Identification (Source:EPA,EU)

ID 807
Name propanil
CAS 709-98-8
IUPAC 3′,4′-dichloropropionanilide
Inchi InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)
CIPAC 205
EPA Code 028201
Formula C9H9Cl2NO
SMILES Clc1ccc(NC(=O)CC)cc1Cl
Status Not Approved

Classification

Mode of Action Selective with contact action, inhibition of photosynthesis
Pesticide Type Herbicide
Chemical Group Anilide
Classification anilide herbicides

Properties (Source:PubChem)

Molecular Weight 218.08
Physical State Brown crystalline solid
AlogP 2.946
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 203.56
Polar Surface Area 29.1

Structure



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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 0.11 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.35 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.086 mg l-1
Aquatic invertebrates Acute 48 hour EC50 2.39 mg l-1
Aquatic plants Acute 7 day EC50, biomass 5.8 mg l-1
Birds Acute LD50 196 mg kg-1
Birds Short term dietary LC50/LD50 2792 mg/kg feed
Earthworms Acute 14 day LD50 734 mg kg-1
Fish Acute 96 hour LC50 5.4 mg l-1
Honeybees Acute 48 hour LD50 > 94.3 μg bee-1
Mammals Acute oral LD50 960 mg kg-1
Mammals Short term dietary NOEL 400 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 16.0 mg kg-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment 1.9 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 111

Related targets

Target Name RScore (About this table)
interleukin 6 339(3,6,6,9) Details
interferon gamma 243(3,3,3,3) Details
tumor necrosis factor alpha 207(2,3,5,7) Details
IL 10 162(2,2,2,2) Details
p65 143(1,3,3,3) Details
hemoglobin (protein family or complex) 123(1,2,3,8) Details
p50 112(1,2,2,2) Details
glutathione S transferase 82(1,1,1,2) Details
granulocyte macrophage colony stimulating factor 81(1,1,1,1) Details
transferase 81(1,1,1,1) Details
interleukin (protein family or complex) 81(1,1,1,1) Details
SRBC 81(1,1,1,1) Details
aryl hydrocarbon receptor 73(0,2,3,8) Details
methemoglobin 57(0,1,5,7) Details
cytochrome P450 (protein family or complex) 54(0,1,4,9) Details
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