EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	89134SCM7M
EPA CompTox	DTXSID0022939

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

89134SCM7M

EPA CompTox

DTXSID0022939


InChI Key	GZZZSOOGQLOEOB-UHFFFAOYSA-N
Smiles	CN(C(=O)C(Cl)Cl)c1ccc(O)cc1
InChI	InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3

InChI Key

GZZZSOOGQLOEOB-UHFFFAOYSA-N

Smiles

CN(C(=O)C(Cl)Cl)c1ccc(O)cc1

InChI

InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3

Property Name	Value
Molecular Formula	C9H9Cl2N1O2
Molecular Weight	233.0
AlogP	2.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	40.54
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C9H9Cl2N1O2

Molecular Weight

233.0

AlogP

2.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

40.54

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	579-38-4
NORMAN SUSDAT
FDA SRS	89134SCM7M
PubChem	11367
ChemSpider	10889.0

Resources

Reference

CAS NUMBER

579-38-4

NORMAN SUSDAT

FDA SRS

89134SCM7M

PubChem

11367

ChemSpider

10889.0

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

DILOXANIDE

Structure

Physicochemical Descriptors

Cross References