pyridate

Identification (Source:EPA,EU)

ID 1060
Name pyridate
CAS 55512-33-9
IUPAC
Inchi InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3
CIPAC 447
EPA Code 128834
Formula C19H23ClN2O2S
SMILES O=C(SCCCCCCCC)Oc2cc(Cl)nnc2c1ccccc1
Status Approved

Classification

Mode of Action Selective with contact action, absorbed mainly by the leaves
Pesticide Type Herbicide
Chemical Group Phenylpyridazine
Classification pyridazine herbicides

Properties (Source:PubChem)

Molecular Weight 378.92
Physical State Colourless crystals
AlogP 7.155
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 366.64
Polar Surface Area 77.38

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 48 mg l-1
Algae Acute 72 hour EC50, growth > 2.0 mg l-1
Aquatic crustaceans Acute 96 hour LC50 3.3 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.01 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.83 mg l-1
Aquatic plants Acute 7 day EC50, biomass > 2.0 mg l-1
Birds Acute LD50 1269 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg feed
Earthworms Acute 14 day LD50 799 mg kg-1
Fish Chronic 21 day NOEC 0.08 mg l-1
Fish Acute 96 hour LC50 > 1.2 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 > 3588 mg kg-1
Mammals Short term dietary NOEL 30 mg kg-1
Bio-concentration factor BCF 116
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
estrogen receptor 166(2,2,2,6) Details
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