isopropalin

Identification (Source:EPA,EU)

ID 920
Name isopropalin
CAS 33820-53-0
IUPAC
Inchi InChI=1S/C15H23N3O4/c1-5-7-16(8-6-2)15-13(17(19)20)9-12(11(3)4)10-14(15)18(21)22/h9-11H,5-8H2,1-4H3
CIPAC 532
EPA Code 100201
Formula C15H23N3O4
SMILES [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)C(C)C
Status Not Approved

Classification

Mode of Action Inhibition of microtubular assembly
Pesticide Type Herbicide
Chemical Group Dinitroaniline
Classification dinitroaniline herbicides

Properties (Source:PubChem)

Molecular Weight 309.36
Physical State Liquid
AlogP 4.72
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 333.65
Polar Surface Area 94.88

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

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
Aquatic invertebrates Acute 48 hour EC50 0.022 mg l-1
Birds Acute LD50 2000 mg kg-1
Fish Acute 96 hour LC50 0.803 mg l-1
Mammals Acute oral LD50 > 5000 mg kg-1
Bio-concentration factor BCF 17000
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
C18 3(0,0,0,3) Details
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