dinocap

Identification (Source:EPA,EU)

ID 147
Name dinocap
CAS 39300-45-3
IUPAC
Inchi
CIPAC 98
EPA Code 036001
Formula C18H24N2O6
SMILES O=C(Oc1c(cc(cc1C(C)CCCCCC)[N+]([O-])=O)[N+]([O-])=O)/C=C/C
Status PENDING

Classification

Mode of Action Contact with protective and curative action. Respiration inhibitor. Uncoupler of oxidative phosphorylation via disruption of proton gradient.
Pesticide Type Fungicide, Acaricide
Chemical Group Dinitrophenol
Classification dinitrophenol acaricides
dinitrophenol fungicides

Properties (Source:PubChem)

Molecular Weight 364.18
Physical State Dark reddish brown, oily liquid
AlogP 5.257
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 396.88
Polar Surface Area 117.94

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 0.32 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00094 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0042 mg l-1
Birds Acute LD50 > 2150 mg kg-1
Birds Short term dietary LC50/LD50 22989 mg/kg feed
Earthworms Acute 14 day LD50 60 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 4.06 mg kg-1
Fish Acute 96 hour LC50 0.0053 mg l-1
Fish Chronic 21 day NOEC 0.00179 mg l-1
Honeybees Acute 48 hour LD50 6.4 μg bee-1
Mammals Acute oral LD50 1212 mg kg-1
Mammals Short term dietary NOEL 18.2 mg kg-1
Mammals Short term dietary NOEL 75 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.240 mg kg-1
Bio-concentration factor BCF 992
Bio-concentration factor CT50 0.8 days

Related targets

Target Name RScore (About this table)
SRBC 162(2,2,2,2) Details
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