molinate

Identification (Source:EPA,EU)

ID 1093
Name molinate
CAS 2212-67-1
IUPAC
Inchi InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
CIPAC 235
EPA Code 041402
Formula C9H17NOS
SMILES O=C(SCC)N1CCCCCC1
Status Approved

Classification

Mode of Action Selective, systemic absorbed by roots and translocated. Inhibition of lipid synthesis.
Pesticide Type Herbicide
Chemical Group Thiocarbamate
Classification thiocarbamate herbicides

Properties (Source:PubChem)

Molecular Weight 187.3
Physical State Clear liquid
AlogP 2.503
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 196.91
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
Algae Acute 72 hour EC50, growth 0.5 mg l-1
Aquatic crustaceans Acute 96 hour LC50 1.8 mg l-1
Aquatic invertebrates Acute 48 hour EC50 14.9 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.38 mg l-1
Aquatic plants Acute 7 day EC50, biomass 7.7 mg l-1
Birds Acute LD50 389 mg kg-1
Birds Short term dietary LC50/LD50 2500 mg/kg feed
Earthworms Acute 14 day LD50 289 mg kg-1
Fish Chronic 21 day NOEC 0.39 mg l-1
Fish Acute 96 hour LC50 16 mg l-1
Honeybees Acute 48 hour LD50 > 11 μg bee-1
Mammals Acute oral LD50 483 mg kg-1
Mammals Short term dietary NOEL 1 mg kg-1
Bio-concentration factor BCF 72
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
ALDH2 87(1,1,1,7) Details
Acetylcholinesterase 85(1,1,1,5) Details
transferase 81(1,1,1,1) Details
aldehyde dehydrogenase (protein family or complex) 37(0,1,1,7) Details
glutathione transferase 32(0,1,1,2) Details
hemoglobin (protein family or complex) 14(0,0,2,4) Details
cholinesterases 13(0,0,2,3) Details
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