4-CPA

Identification (Source:EPA,EU)

ID 1009
Name 4-CPA
CAS 122-88-3
IUPAC 4-chlorophenoxyacetic acid
Inchi InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
CIPAC 291
EPA Code 019401
Formula C8H7ClO3
SMILES Clc1ccc(OCC(=O)O)cc1
Status Not Approved

Classification

Mode of Action Absorbed by tissue and translocated to roots
Pesticide Type Plant growth regulator, Herbicide
Chemical Group Auxin
Classification auxins
phenoxyacetic herbicides

Properties (Source:PubChem)

Molecular Weight 186.59
Physical State Off-white crystalline solid
AlogP 1.959
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 174.29
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 1.4 mg l-1
Algae Chronic 96 hour NOEC, growth 1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 40 mg l-1
Fish Acute 96 hour LC50 180 mg l-1
Mammals Acute oral LD50 850 mg kg-1

Related targets

Target Name RScore (About this table)
albumin 3(0,0,0,3) Details
granulocyte colony stimulating factor 2(0,0,0,2) Details
c Src 2(0,0,0,2) Details
protein tyrosine kinase 1(0,0,0,1) Details
neuropeptide Y 1(0,0,0,1) Details
Lck 1(0,0,0,1) Details
cyclin D1 1(0,0,0,1) Details
Asp 1 1(0,0,0,1) Details
protein tyrosine kinases 1(0,0,0,1) Details
casein 1(0,0,0,1) Details
estrogen receptor 1(0,0,0,1) Details
caspase 3 1(0,0,0,1) Details
leptin 1(0,0,0,1) Details
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Node List

ID Name Type

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