nitralin

Identification (Source:EPA,EU)

ID 922
Name nitralin
CAS 4726-14-1
IUPAC
Inchi InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
CIPAC 561
EPA Code 037601
Formula C13H19N3O6S
SMILES [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(=O)(=O)C
Status Not Approved

Classification

Mode of Action Microtubular assembly inhibitor
Pesticide Type Herbicide
Chemical Group Dinitroaniline
Classification dinitroaniline herbicides

Properties (Source:PubChem)

Molecular Weight 345.37
Physical State Yellow solid
AlogP 3.052
H-Bond Donor 0
H-Bond Acceptor 7
Surface Area 341.26
Polar Surface Area 137.39

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 0.002 mg l-1
Fish Acute 96 hour LC50 22.0 mg l-1
Mammals Acute oral LD50 > 2000 mg kg-1

Related targets

Target Name RScore (About this table)
C18 2(0,0,0,2) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;