EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	CM96O90UX1
EPA CompTox	DTXSID5027302

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

CM96O90UX1

EPA CompTox

DTXSID5027302


InChI Key	YJIRZJAZKDWEIJ-UHFFFAOYSA-N
Smiles	ClC(=O)c1c(Cl)c(Cl)c(C(Cl)=O)c(Cl)c1Cl
InChI	InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16

InChI Key

YJIRZJAZKDWEIJ-UHFFFAOYSA-N

Smiles

ClC(=O)c1c(Cl)c(Cl)c(C(Cl)=O)c(Cl)c1Cl

InChI

InChI=1S/C8Cl6O2/c9-3-1(7(13)15)4(10)6(12)2(5(3)11)8(14)16

Property Name	Value
Molecular Formula	C8Cl6O2
Molecular Weight	337.8
AlogP	5.06
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	34.14
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C8Cl6O2

Molecular Weight

337.8

AlogP

5.06

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

34.14

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	719-32-4
NORMAN SUSDAT
FDA SRS	CM96O90UX1
PubChem	12868
ChemSpider	12337.0

Resources

Reference

CAS NUMBER

719-32-4

NORMAN SUSDAT

FDA SRS

CM96O90UX1

PubChem

12868

ChemSpider

12337.0

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

2,3,5,6-TETRACHLOROBENZENE-1,4-DICARBONYL DICHLORIDE

Structure

Physicochemical Descriptors

Cross References