MCPB

Identification (Source:EPA,EU)

ID 1018
Name MCPB
CAS 94-81-5
IUPAC
Inchi InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
CIPAC 50
EPA Code 019201
Formula C11H13ClO3
SMILES Clc1cc(c(OCCCC(=O)O)cc1)C
Status Approved

Classification

Mode of Action Selective, systemic, absorbed by leaves and roots with translocation. Synthetic auxin.
Pesticide Type Herbicide
Chemical Group Aryloxyalkanoic acid
Classification phenoxybutyric herbicides

Properties (Source:PubChem)

Molecular Weight 228.67
Physical State White powder
AlogP 3.015
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 225.6
Polar Surface Area 46.53

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
Algae Acute 72 hour EC50, growth 41.0 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 50 mg l-1
Aquatic invertebrates Acute 48 hour EC50 55 mg l-1
Aquatic plants Acute 7 day EC50, biomass 37 mg l-1
Birds Acute LD50 282 mg kg-1
Birds Short term dietary LC50/LD50 > 5000 mg/kg feed
Earthworms Acute 14 day LD50 > 252 mg kg-1
Fish Acute 96 hour LC50 4.3 mg l-1
Fish Chronic 21 day NOEC 40 mg l-1
Honeybees Acute 48 hour LD50 > 81.8 μg bee-1
Mammals Acute oral LD50 4300 mg kg-1
Mammals Short term dietary NOEL > 100 ppm diet
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
Neutrophil gelatinase associated lipocalin 90(1,1,2,5) Details
HAMP 33(0,1,1,3) Details
alkaline phosphatase 31(0,1,1,1) Details
protein is 31(0,1,1,1) Details
H Y 14(0,0,2,4) Details
CD4 10(0,0,1,5) Details
C18 9(0,0,1,4) Details
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