EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2WLF8F9WF5
EPA CompTox	DTXSID4057843

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2WLF8F9WF5

EPA CompTox

DTXSID4057843


InChI Key	KOZWYRYCGOBBKD-UHFFFAOYSA-N
Smiles	Clc1ccc(cc1)C1CC(=O)NC(=O)C1
InChI	InChI=1S/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)

InChI Key

KOZWYRYCGOBBKD-UHFFFAOYSA-N

Smiles

Clc1ccc(cc1)C1CC(=O)NC(=O)C1

InChI

InChI=1S/C11H10ClNO2/c12-9-3-1-7(2-4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)

Property Name	Value
Molecular Formula	C11H10Cl1N1O2
Molecular Weight	223.04
AlogP	2.7
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	49.66
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H10Cl1N1O2

Molecular Weight

223.04

AlogP

2.7

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

49.66

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	84803-46-3
NORMAN SUSDAT
FDA SRS	2WLF8F9WF5
PubChem	2727728
ChemSpider	2009738.0

Resources

Reference

CAS NUMBER

84803-46-3

NORMAN SUSDAT

FDA SRS

2WLF8F9WF5

PubChem

2727728

ChemSpider

2009738.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

4-(4-CHLOROPHENYL)PIPERIDINE-2,6-DIONE

Structure

Physicochemical Descriptors

Cross References