EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9CCW77BAXP
EPA CompTox	DTXSID8066557

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9CCW77BAXP

EPA CompTox

DTXSID8066557


InChI Key	QAYVHDDEMLNVMO-UHFFFAOYSA-N
Smiles	Nc1cc(Cl)c(N)cc1Cl
InChI	InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2

InChI Key

QAYVHDDEMLNVMO-UHFFFAOYSA-N

Smiles

Nc1cc(Cl)c(N)cc1Cl

InChI

InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)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	20103-09-7
NORMAN SUSDAT
FDA SRS	9CCW77BAXP
PubChem	29949
ChemSpider	27823.0

Resources

Reference

CAS NUMBER

20103-09-7

NORMAN SUSDAT

FDA SRS

9CCW77BAXP

PubChem

29949

ChemSpider

27823.0

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

1,4-BENZENEDIAMINE, 2,5-DICHLORO-

Structure

Physicochemical Descriptors

Cross References