dicofol

Identification (Source:EPA,EU)

ID 118
Name dicofol
CAS 115-32-2
IUPAC
Inchi InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
CIPAC 123
EPA Code 10501
Formula C14H9Cl5O
SMILES Clc1ccc(cc1)C(O)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
Status Not Approved

Classification

Mode of Action Non-systemic with contact action
Pesticide Type Acaricide
Chemical Group Organochlorine
Classification bridged diphenyl acaricides

Properties (Source:PubChem)

Molecular Weight 370.49
Physical State White crystals
AlogP 5.62
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 313.52
Polar Surface Area 20.23

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 Chronic 96 hour NOEC, growth 0.05 mg l-1
Algae Acute 72 hour EC50, growth 0.075 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 125 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.14 mg l-1
Birds Acute LD50 1418 mg kg-1
Earthworms Acute 14 day LD50 43.1 mg kg-1
Fish Acute 96 hour LC50 0.51 mg l-1
Fish Chronic 21 day NOEC 0.0044 mg l-1
Honeybees Acute 48 hour LD50 50 μg bee-1
Mammals Acute oral LD50 578 mg kg-1
Mammals Short term dietary NOEL 0.25 mg kg-1
Mammals Short term dietary NOEL 5 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 10000

Related targets

Target Name RScore (About this table)
oestrogen receptor alpha 98(1,1,3,8) Details
thyroid hormone receptor alpha 81(1,1,1,1) Details
CYP1A1 49(0,1,4,4) Details
CYP2B 43(0,1,3,3) Details
CYP3A 37(0,1,2,2) Details
CYP2E1 37(0,1,2,2) Details
cytochrome P450 (protein family or complex) 17(0,0,2,7) Details
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