dichlorophen

Identification (Source:EPA,EU)

ID 317
Name dichlorophen
CAS 97-23-4
IUPAC
Inchi InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2
CIPAC 325
EPA Code 055001
Formula C13H10Cl2O2
SMILES Clc1cc(c(O)cc1)Cc2cc(Cl)ccc2O
Status Not Approved

Classification

Mode of Action Contact
Pesticide Type Fungicide, Algicide, Bactericide, Veterinary treatment
Chemical Group Hetrocyclic
Classification Bactericides
Algicides
bridged diphenyl fungicides

Properties (Source:PubChem)

Molecular Weight 269.1
Physical State Colourless crystals
AlogP 4.649
H-Bond Donor 2
H-Bond Acceptor 2
Surface Area 242.4
Polar Surface Area 40.46

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
Algae Acute 72 hour EC50, growth 10 mg l-1
Aquatic invertebrates Acute 48 hour EC50 6.2 mg l-1
Fish Acute 96 hour LC50 0.54 mg l-1
Mammals Acute oral LD50 2690 mg kg-1
Mammals Short term dietary NOEL 2000 ppm diet
Bio-concentration factor BCF 45.4
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
NK2 35(0,1,1,5) Details
mark 4 31(0,1,1,1) Details
NK 1 receptor 31(0,1,1,1) Details
cis 2 31(0,1,1,1) Details
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