chloramben

Identification (Source:EPA,EU)

ID 847
Name chloramben
CAS 133-90-4
IUPAC 3-amino-2,5-dichlorobenzoic acid
Inchi InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)
CIPAC 141
EPA Code 029901
Formula C7H5Cl2NO2
SMILES Clc1cc(C(=O)O)c(Cl)c(N)c1
Status Not Approved

Classification

Mode of Action Selective, inhibits seedling root development
Pesticide Type Herbicide
Chemical Group Benzoic acid
Classification benzoic acid herbicides

Properties (Source:PubChem)

Molecular Weight 206.03
Physical State Colourless crystals
AlogP 2.042
H-Bond Donor 2
H-Bond Acceptor 3
Surface Area 186.73
Polar Surface Area 63.31

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
Aquatic invertebrates Acute 48 hour EC50 1000 mg l-1
Birds Acute LD50 4640 mg kg-1
Fish Acute 96 hour LC50 10 mg l-1
Honeybees Acute 48 hour LD50 14.5 μg bee-1
Mammals Acute oral LD50 > 5000 mg kg-1
Mammals Short term dietary NOEL 10000 ppm diet

Related targets

Target Name RScore (About this table)
C18 1(0,0,0,1) Details
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