EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	252EC33EVE
EPA CompTox	DTXSID40152794

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

252EC33EVE

EPA CompTox

DTXSID40152794


InChI Key	KPQOXMCRYWDRSB-UHFFFAOYSA-N
Smiles	Clc1c(cccc1)N1C(=O)C=CC1=O
InChI	InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H

InChI Key

KPQOXMCRYWDRSB-UHFFFAOYSA-N

Smiles

Clc1c(cccc1)N1C(=O)C=CC1=O

InChI

InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H

Property Name	Value
Molecular Formula	C10H6Cl1N1O2
Molecular Weight	207.01
AlogP	1.77
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	37.38
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H6Cl1N1O2

Molecular Weight

207.01

AlogP

1.77

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

37.38

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1203-24-3
NORMAN SUSDAT
FDA SRS	252EC33EVE
PubChem	14550
ChemSpider	13891.0

Resources

Reference

CAS NUMBER

1203-24-3

NORMAN SUSDAT

FDA SRS

252EC33EVE

PubChem

14550

ChemSpider

13891.0

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-CHLOROPHENYL)-1H-PYRROLE-2,5-DIONE

Structure

Physicochemical Descriptors

Cross References