chlorobenzilate

Identification (Source:EPA,EU)

ID 114
Name chlorobenzilate
CAS 510-15-6
IUPAC ethyl 4,4′-dichlorobenzilate
Inchi InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
CIPAC 119
EPA Code 028801
Formula C16H14Cl2O3
SMILES Clc1ccc(cc1)C(O)(c2ccc(Cl)cc2)C(=O)OCC
Status Not Approved

Classification

Mode of Action Nervous system toxin
Pesticide Type Insecticide, Acaricide, Miticide
Chemical Group Organochlorine
Classification bridged diphenyl acaricides

Properties (Source:PubChem)

Molecular Weight 325.19
Physical State Colourless solid when pure
AlogP 4.292
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 300.76
Polar Surface Area 46.53

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
Aquatic invertebrates Acute 48 hour EC50 0.01 mg l-1
Birds Acute LD50 2250 mg kg-1
Fish Acute 96 hour LC50 0.7 mg l-1
Honeybees Acute 48 hour LD50 1.01 μg bee-1
Mammals Acute oral LD50 2784 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 750

Related targets

Target Name RScore (About this table)
ATPase 3(0,0,0,3) Details
P gp 2(0,0,0,2) Details
CYP19 2(0,0,0,2) Details
Acetylcholinesterase 2(0,0,0,2) Details
calmodulin 2(0,0,0,2) Details
cytochrome P450 (protein family or complex) 2(0,0,0,2) Details
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