clomazone

Identification (Source:EPA,EU)

ID 1240
Name clomazone
CAS 81777-89-1
IUPAC
Inchi InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3
CIPAC 509
EPA Code 125401
Formula C12H14ClNO2
SMILES Clc1ccccc1CN2OCC(C2=O)(C)C
Status Approved

Classification

Mode of Action Selective, absorbed by roots and shoots. Inhibition of lycopene cyclase.
Pesticide Type Herbicide
Chemical Group Isoxazolidinone
Classification unclassified herbicides

Properties (Source:PubChem)

Molecular Weight 239.7
Physical State Pale straw coloured liquid
AlogP 2.487
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 232.65
Polar Surface Area 29.54

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 Chronic 96 hour NOEC, growth 0.05 mg l-1
Algae Acute 72 hour EC50, growth 0.136 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.57 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 2.2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 12.7 mg l-1
Aquatic plants Acute 7 day EC50, biomass 34.0 mg l-1
Birds Short term dietary LC50/LD50 > 5620 ppm
Birds Acute LD50 > 2510 mg kg-1
Earthworms Acute 14 day LD50 78 mg kg-1
Fish Acute 96 hour LC50 15.5 mg l-1
Fish Chronic 21 day NOEC 2.30 mg l-1
Honeybees Acute 48 hour LD50 > 85.3 μg bee-1
Mammals Acute oral LD50 1369 mg kg-1
Mammals Short term dietary NOEL 4.3 mg kg-1
Bio-concentration factor CT50 1 days
Bio-concentration factor BCF 40

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 122(1,1,6,17) Details
transferase 81(1,1,1,1) Details
phosphomevalonate kinase 81(1,1,1,1) Details
mevalonate kinase 81(1,1,1,1) Details
catalase 23(0,0,3,8) Details
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