EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z4QJ0R1U1Z
EPA CompTox	DTXSID7020427

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z4QJ0R1U1Z

EPA CompTox

DTXSID7020427


InChI Key	HQCHAOKWWKLXQH-UHFFFAOYSA-N
Smiles	Nc1cc(Cl)c(N)c(Cl)c1
InChI	InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H,9-10H2

InChI Key

HQCHAOKWWKLXQH-UHFFFAOYSA-N

Smiles

Nc1cc(Cl)c(N)c(Cl)c1

InChI

InChI=1S/C6H6Cl2N2/c7-4-1-3(9)2-5(8)6(4)10/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	609-20-1
NORMAN SUSDAT
FDA SRS	Z4QJ0R1U1Z
PubChem	11860
ChemSpider	11367.0

Resources

Reference

CAS NUMBER

609-20-1

NORMAN SUSDAT

FDA SRS

Z4QJ0R1U1Z

PubChem

11860

ChemSpider

11367.0

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

2,6-DICHLORO-1,4-BENZENEDIAMINE

Structure

Physicochemical Descriptors

Cross References