flocoumafen

Identification (Source:EPA,EU)

ID 1773
Name flocoumafen
CAS 90035-08-8
IUPAC
Inchi InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
CIPAC 453
EPA Code
Formula C33H25F3O4
SMILES FC(F)(F)c1ccc(cc1)COc2ccc(cc2)C6Cc3ccccc3C(C=4C(=O)c5c(OC=4O)cccc5)C6
Status Not Approved

Classification

Mode of Action Second generation indirect anticoagulant
Pesticide Type Rodenticide
Chemical Group Coumarin
Classification coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight 542.54
Physical State Off-wjhite solid
AlogP 8.378
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 470.49
Polar Surface Area 55.76

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 1.1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.66 mg l-1
Birds Acute LD50 300 mg kg-1
Fish Acute 96 hour LC50 0.091 mg l-1
Mammals Acute oral LD50 0.25 mg kg-1
Bio-concentration factor BCF 1972
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
beta glucuronidase 31(0,1,1,1) Details
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