vernolate

Identification (Source:EPA,EU)

ID 1102
Name vernolate
CAS 1929-77-7
IUPAC
Inchi InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
CIPAC 237
EPA Code 041404
Formula C10H21NOS
SMILES O=C(SCCC)N(CCC)CCC
Status Not Approved

Classification

Mode of Action Selective, inhibition of lipid synthesis
Pesticide Type Herbicide
Chemical Group Thiocarbamate
Classification thiocarbamate herbicides

Properties (Source:PubChem)

Molecular Weight 203.34
Physical State Clear liquid
AlogP 3.398
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 233.74
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 0.54 mg l-1
Aquatic crustaceans Acute 96 hour LC50 3.8 mg l-1
Aquatic invertebrates Acute 48 hour EC50 1.8 mg l-1
Aquatic plants Acute 7 day EC50, biomass 14 mg l-1
Birds Acute LD50 14500 mg kg-1
Fish Acute 96 hour LC50 4.6 mg l-1
Honeybees Acute 48 hour LD50 11 μg bee-1
Mammals Acute oral LD50 1500 mg kg-1
Mammals Short term dietary NOEL 32 mg kg-1
Bio-concentration factor BCF 366
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
cytochrome P450 (protein family or complex) 33(0,1,1,3) Details
ALDH2 7(0,0,0,7) Details
aldehyde dehydrogenase (protein family or complex) 7(0,0,0,7) Details
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