S-metolachlor

Identification (Source:EPA,EU)

ID 823
Name S-metolachlor
CAS 87392-12-9
IUPAC
Inchi InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
CIPAC 607
EPA Code 108800
Formula C15H22ClNO2
SMILES ClCC(=O)N(c1c(cccc1CC)C)C(COC)C
Status Approved

Classification

Mode of Action Selective, absorbed through roots and shhots
Pesticide Type Herbicide
Chemical Group Chloroacetamide
Classification anilide herbicides
chloroacetanilide herbicides

Properties (Source:PubChem)

Molecular Weight 283.79
Physical State Clear straw-coloured liquid
AlogP 3.364
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 301.41
Polar Surface Area 29.54

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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 0.008 mg l-1
Aquatic invertebrates Acute 48 hour EC50 1.4 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 5.9 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.023 mg l-1
Birds Acute LD50 > 2510 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction < 2.54 mg kg-1
Earthworms Acute 14 day LD50 570 mg kg-1
Fish Chronic 21 day NOEC 0.78 mg l-1
Fish Acute 96 hour LC50 1.23 mg l-1
Honeybees Acute 48 hour LD50 > 85 μg bee-1
Mammals Acute oral LD50 2577 mg kg-1
Mammals Short term dietary NOEL 15 mg kg-1
Bio-concentration factor CT50 1.5 days
Bio-concentration factor BCF 68.8

Related targets

Target Name RScore (About this table)
catalase 119(1,2,3,4) Details
cod 2 81(1,1,1,1) Details
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