coumafuryl

Identification (Source:EPA,EU)

ID 1768
Name coumafuryl
CAS 117-52-2
IUPAC
Inchi InChI=1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3
CIPAC 209
EPA Code 086004
Formula C17H14O5
SMILES O=C(C)CC(C=1C(=O)c2c(OC=1O)cccc2)c3occc3
Status Not Approved

Classification

Mode of Action Anticoagulant
Pesticide Type Rodenticide
Chemical Group Coumarin anticoagulant
Classification coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight 298.29
Physical State
AlogP 2.477
H-Bond Donor 1
H-Bond Acceptor 4
Surface Area 279.46
Polar Surface Area 76.74

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
Mammals Acute oral LD50 25 mg kg-1

Related targets

Target Name RScore (About this table)
C18 1(0,0,0,1) Details
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