octhilinone

Identification (Source:EPA,EU)

ID 353
Name octhilinone
CAS 26530-20-1
IUPAC
Inchi InChI=1S/C11H19NOS/c1-2-3-4-5-6-7-9-12-11(13)8-10-14-12/h8,10H,2-7,9H2,1H3
CIPAC 8237
EPA Code 099901
Formula C11H19NOS
SMILES O=C1/C=C\SN1CCCCCCCC
Status Not Approved

Classification

Mode of Action Possible DNA/RNA synthesis inhibitor
Pesticide Type Fungicide, Bactericide
Chemical Group Heteroaramatic
Classification thiazole fungicides
Bactericides

Properties (Source:PubChem)

Molecular Weight 213.34
Physical State Yellow solid
AlogP 3.158
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 222.55
Polar Surface Area 45.61

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 crustaceans Acute 96 hour LC50 0.0055 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.18 mg l-1
Birds Acute LD50 346 mg kg-1
Fish Acute 96 hour LC50 0.065 mg l-1
Mammals Acute oral LD50 550 mg kg-1
Mammals Short term dietary NOEL 150 mg kg-1

Related targets

Target Name RScore (About this table)
lipase 2(0,0,0,2) Details
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