EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S3VM605Y7S
EPA CompTox	DTXSID5074133

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S3VM605Y7S

EPA CompTox

DTXSID5074133


InChI Key	RZFZBHKDGHISSH-UHFFFAOYSA-N
Smiles	Clc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl
InChI	InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/h1-6H

InChI Key

RZFZBHKDGHISSH-UHFFFAOYSA-N

Smiles

Clc1ccc(cc1)-c1c(Cl)cc(Cl)cc1Cl

InChI

InChI=1S/C12H6Cl4/c13-8-3-1-7(2-4-8)12-10(15)5-9(14)6-11(12)16/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	32598-12-2
NORMAN SUSDAT
FDA SRS	S3VM605Y7S
PubChem	63107
ChemSpider	56792.0

Resources

Reference

CAS NUMBER

32598-12-2

NORMAN SUSDAT

FDA SRS

S3VM605Y7S

PubChem

63107

ChemSpider

56792.0

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

2,4,4',6-TETRACHLOROBIPHENYL

Structure

Physicochemical Descriptors

Cross References