pentanochlor

Identification (Source:EPA,EU)

ID 805
Name pentanochlor
CAS 2307-68-8
IUPAC
Inchi InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
CIPAC 317
EPA Code 020901
Formula C13H18ClNO
SMILES CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
Status Not Approved

Classification

Mode of Action Selective with contact action
Pesticide Type Herbicide
Chemical Group Anilide
Classification anilide herbicides

Properties (Source:PubChem)

Molecular Weight 239.7
Physical State Colourless solid
AlogP 4.142
H-Bond Donor 1
H-Bond Acceptor 1
Surface Area 249.38
Polar Surface Area 29.1

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 0.05 mg l-1
Aquatic invertebrates Acute 48 hour EC50 4.8 mg l-1
Mammals Acute oral LD50 > 1000 mg kg-1
Mammals Short term dietary NOEL 20000 ppm diet
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