MCPA

Identification (Source:EPA,EU)

ID 1012
Name MCPA
CAS 94-74-6
IUPAC
Inchi InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
CIPAC 2
EPA Code 030501
Formula C9H9ClO3
SMILES Clc1cc(c(OCC(=O)O)cc1)C
Status Not Approved

Classification

Mode of Action Selective, systemic with translocation. Synthetic auxin.
Pesticide Type Herbicide, Metabolite
Chemical Group Aryloxyalkanoic acid
Classification phenoxyacetic herbicides

Properties (Source:PubChem)

Molecular Weight 200.62
Physical State White crystalline powder
AlogP 2.445
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 193.67
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 79.8 mg l-1
Algae Chronic 96 hour NOEC, growth 60 mg l-1
Aquatic invertebrates Acute 48 hour EC50 > 190 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 10.5 mg l-1
Aquatic plants Acute 7 day EC50, biomass 0.051 mg l-1
Birds Short term dietary LC50/LD50 > 983 mg/kg bw/day
Birds Acute LD50 270 mg kg-1
Earthworms Acute 14 day LD50 325 mg kg-1
Fish Chronic 21 day NOEC 15 mg l-1
Fish Acute 96 hour LC50 50 mg l-1
Honeybees Acute 48 hour LD50 > 200 μg bee-1
Mammals Acute oral LD50 962 mg kg-1
Bio-concentration factor BCF 1
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
MCADH 165(2,2,2,5) Details
acyl CoA dehydrogenase 178(1,4,4,8) Details
albumin 119(1,2,3,4) Details
MCAD 83(1,1,1,3) Details
LDH (protein family or complex) 81(1,1,1,1) Details
glutathione S transferases 58(0,1,5,8) Details
MC1 48(0,1,3,8) Details
CA1 41(0,1,2,6) Details
cytochrome P450 (protein family or complex) 39(0,1,2,4) Details
TPO1 34(0,1,1,4) Details
P230 34(0,1,1,4) Details
glutamate receptor 33(0,1,1,3) Details
acetolactate synthase 32(0,1,1,2) Details
2 methyl branched chain acyl CoA dehydrogenase 31(0,1,1,1) Details
brain 2 31(0,1,1,1) Details
NADPH cytochrome P450 reductase 31(0,1,1,1) Details
ppm 2 31(0,1,1,1) Details
catalase 25(0,0,4,5) Details
C18 20(0,0,2,10) Details
DP 2 13(0,0,2,3) Details
glutathione reductase 12(0,0,2,2) Details
epoxide hydrolase 12(0,0,2,2) Details
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Node List

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