EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZXE9VA3E38
EPA CompTox	DTXSID50239540

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZXE9VA3E38

EPA CompTox

DTXSID50239540


InChI Key	FWDFNLVLIXAOMX-UHFFFAOYSA-N
Smiles	ClCC(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChI Key

FWDFNLVLIXAOMX-UHFFFAOYSA-N

Smiles

ClCC(=O)c1ccc(Cl)cc1

InChI

InChI=1S/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Property Name	Value
Molecular Formula	C8H6Cl2O1
Molecular Weight	187.98
AlogP	2.76
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H6Cl2O1

Molecular Weight

187.98

AlogP

2.76

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	937-20-2
NORMAN SUSDAT
FDA SRS	ZXE9VA3E38
PubChem	70298
ChemSpider	21170959.0

Resources

Reference

CAS NUMBER

937-20-2

NORMAN SUSDAT

FDA SRS

ZXE9VA3E38

PubChem

70298

ChemSpider

21170959.0

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'-DICHLOROACETOPHENONE

Structure

Physicochemical Descriptors

Cross References