EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7428XK2HL6
EPA CompTox	DTXSID10157175

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7428XK2HL6

EPA CompTox

DTXSID10157175


InChI Key	VHZJMAJCUAWIHV-UHFFFAOYSA-N
Smiles	Clc1cc(Cl)c(N2C(=O)C=CC2=O)c(Cl)c1
InChI	InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

InChI Key

VHZJMAJCUAWIHV-UHFFFAOYSA-N

Smiles

Clc1cc(Cl)c(N2C(=O)C=CC2=O)c(Cl)c1

InChI

InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

Property Name	Value
Molecular Formula	C10H4Cl3N1O2
Molecular Weight	274.93
AlogP	3.08
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	37.38
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C10H4Cl3N1O2

Molecular Weight

274.93

AlogP

3.08

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

37.38

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	13167-25-4
NORMAN SUSDAT
FDA SRS	7428XK2HL6
PubChem	83195
ChemSpider	75062.0

Resources

Reference

CAS NUMBER

13167-25-4

NORMAN SUSDAT

FDA SRS

7428XK2HL6

PubChem

83195

ChemSpider

75062.0

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

1-(2,4,6-TRICHLOROPHENYL)-1H-PYRROLE-2,5-DIONE

Structure

Physicochemical Descriptors

Cross References