EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10446652

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10446652


InChI Key	RYEBARWNIIBYNQ-UHFFFAOYSA-N
Smiles	Clc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)N1C(=O)c2ccc(Cl)cc2C1=O
InChI	InChI=1S/C22H10Cl2N2O4/c23-11-4-6-15-17(8-11)21(29)25(19(15)27)13-2-1-3-14(10-13)26-20(28)16-7-5-12(24)9-18(16)22(26)30/h1-10H

InChI Key

RYEBARWNIIBYNQ-UHFFFAOYSA-N

Smiles

Clc1ccc2C(=O)N(C(=O)c2c1)c1cccc(c1)N1C(=O)c2ccc(Cl)cc2C1=O

InChI

InChI=1S/C22H10Cl2N2O4/c23-11-4-6-15-17(8-11)21(29)25(19(15)27)13-2-1-3-14(10-13)26-20(28)16-7-5-12(24)9-18(16)22(26)30/h1-10H

Property Name	Value
Molecular Formula	C22H10Cl2N2O4
Molecular Weight	436.0
AlogP	4.59
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	2.0
Polar Surface Area	74.76
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C22H10Cl2N2O4

Molecular Weight

436.0

AlogP

4.59

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

2.0

Polar Surface Area

74.76

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	148935-94-8
NORMAN SUSDAT
PubChem	10873804
ChemSpider	9049081.0

Resources

Reference

CAS NUMBER

148935-94-8

NORMAN SUSDAT

PubChem

10873804

ChemSpider

9049081.0

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

1H-ISOINDOLE-1,3(2H)-DIONE, 2,2'-(1,3-PHENYLENE)BIS[5-CHLORO-

Structure

Physicochemical Descriptors

Cross References