chlorophacinone

Identification (Source:EPA,EU)

ID 1775
Name chlorophacinone
CAS 3691-35-8
IUPAC
Inchi InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H
CIPAC 208
EPA Code 067707
Formula C23H15ClO3
SMILES Clc1ccc(cc1)C(c2ccccc2)C(=O)C4C(=O)c3ccccc3C4=O
Status Not Approved

Classification

Mode of Action Metabolic inhibitor and 1st generation anticoagulant
Pesticide Type Rodenticide
Chemical Group Indandione anticoagulant
Classification indandione rodenticides

Properties (Source:PubChem)

Molecular Weight 374.82
Physical State Pale yellow or white crystals
AlogP 4.889
H-Bond Donor 0
H-Bond Acceptor 3
Surface Area 335.77
Polar Surface Area 51.21

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
Aquatic invertebrates Acute 48 hour EC50 0.42 mg l-1
Birds Acute LD50 95 mg kg-1
Fish Acute 96 hour LC50 0.35 mg l-1
Honeybees Acute 48 hour LD50 11 μg bee-1
Mammals Acute oral LD50 3.1 mg kg-1

Related targets

Target Name RScore (About this table)
treacle 34(0,1,1,4) Details
prothrombin 28(0,0,3,13) Details
vitamin K epoxide reductase 11(0,0,0,11) Details
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