dinobuton

Identification (Source:EPA,EU)

ID 146
Name dinobuton
CAS 973-21-7
IUPAC
Inchi InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3
CIPAC 223
EPA Code 228700
Formula C14H18N2O7
SMILES O=C(Oc1c(cc(cc1C(C)CC)[N+]([O-])=O)[N+]([O-])=O)OC(C)C
Status Not Approved

Classification

Mode of Action Non-systemic, rapid contact action
Pesticide Type Fungicide, Acaricide
Chemical Group Dinitrophenol
Classification dinitrophenol acaricides
dinitrophenol fungicides

Properties (Source:PubChem)

Molecular Weight 326.30
Physical State Pale yellow crystals
AlogP 4.406
H-Bond Donor 0
H-Bond Acceptor 7
Surface Area 332.54
Polar Surface Area 127.17

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
Birds Acute LD50 150 mg kg-1
Fish Acute 96 hour LC50 0.014 mg l-1
Mammals Acute oral LD50 140 mg kg-1
Mammals Short term dietary NOEL 4.5 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 300

Related targets

Target Name RScore (About this table)
methemoglobin 31(0,1,1,1) Details
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