EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	392EXD3SC9
EPA CompTox	DTXSID5074135

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

392EXD3SC9

EPA CompTox

DTXSID5074135


InChI Key	HLQDGCWIOSOMDP-UHFFFAOYSA-N
Smiles	Clc1cc(c(Cl)c(Cl)c1Cl)-c1ccccc1
InChI	InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H

InChI Key

HLQDGCWIOSOMDP-UHFFFAOYSA-N

Smiles

Clc1cc(c(Cl)c(Cl)c1Cl)-c1ccccc1

InChI

InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H

Property Name	Value
Molecular Formula	C12H6Cl4
Molecular Weight	289.92
AlogP	5.97
Number of Rotational Bond	1.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H6Cl4

Molecular Weight

289.92

AlogP

5.97

Number of Rotational Bond

1.0

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	33284-53-6
NORMAN SUSDAT
FDA SRS	392EXD3SC9
PubChem	36401
ChemSpider	33457.0

Resources

Reference

CAS NUMBER

33284-53-6

NORMAN SUSDAT

FDA SRS

392EXD3SC9

PubChem

36401

ChemSpider

33457.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2,3,4,5-TETRACHLOROBIPHENYL

Structure

Physicochemical Descriptors

Cross References