EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	2LUD2S3RUC
EPA CompTox	DTXSID70201663

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

2LUD2S3RUC

EPA CompTox

DTXSID70201663


InChI Key	IWFHBRFJOHTIPU-UHFFFAOYSA-N
Smiles	Nc1c(N)cc(Cl)c(Cl)c1
InChI	InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

InChI Key

IWFHBRFJOHTIPU-UHFFFAOYSA-N

Smiles

Nc1c(N)cc(Cl)c(Cl)c1

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2

Property Name	Value
Molecular Formula	C6H6Cl2N2
Molecular Weight	175.99
AlogP	2.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	52.04
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H6Cl2N2

Molecular Weight

175.99

AlogP

2.16

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

52.04

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	5348-42-5
NORMAN SUSDAT
FDA SRS	2LUD2S3RUC
PubChem	79297
ChemSpider	8325.0

Resources

Reference

CAS NUMBER

5348-42-5

NORMAN SUSDAT

FDA SRS

2LUD2S3RUC

PubChem

79297

ChemSpider

8325.0

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...

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

Last update: Monday, 3 November 2025

1,2-DIAMINO-4,5-DICHLOROBENZENE

Structure

Physicochemical Descriptors

Cross References