EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DM084YLQ1L
EPA CompTox	DTXSID4022313

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DM084YLQ1L

EPA CompTox

DTXSID4022313


InChI Key	ZDYJWDIWLRZXDB-UHFFFAOYSA-N
Smiles	ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl
InChI	InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

InChI Key

ZDYJWDIWLRZXDB-UHFFFAOYSA-N

Smiles

ClC(Cl)=C(c1ccc(Cl)cc1)c1ccccc1Cl

InChI

InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H

Property Name	Value
Molecular Formula	C14H8Cl4
Molecular Weight	315.94
AlogP	6.19
Number of Rotational Bond	2.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H8Cl4

Molecular Weight

315.94

AlogP

6.19

Number of Rotational Bond

2.0

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	3424-82-6
NORMAN SUSDAT
FDA SRS	DM084YLQ1L
PubChem	246598
ChemSpider	215802.0

Resources

Reference

CAS NUMBER

3424-82-6

NORMAN SUSDAT

FDA SRS

DM084YLQ1L

PubChem

246598

ChemSpider

215802.0

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

O,P'-DDE

Structure

Physicochemical Descriptors

Cross References