EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z52JGW5YCG
EPA CompTox	DTXSID80156978

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z52JGW5YCG

EPA CompTox

DTXSID80156978


InChI Key	YMJSQPNVQRHZDW-UHFFFAOYSA-N
Smiles	NNc1ccc(Cl)c(Cl)c1
InChI	InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2

InChI Key

YMJSQPNVQRHZDW-UHFFFAOYSA-N

Smiles

NNc1ccc(Cl)c(Cl)c1

InChI

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

Property Name	Value
Molecular Formula	C6H6Cl2N2
Molecular Weight	175.99
AlogP	2.28
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	38.05
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H6Cl2N2

Molecular Weight

175.99

AlogP

2.28

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

38.05

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	13124-18-0
NORMAN SUSDAT
FDA SRS	Z52JGW5YCG
PubChem	83161
ChemSpider	75029.0

Resources

Reference

CAS NUMBER

13124-18-0

NORMAN SUSDAT

FDA SRS

Z52JGW5YCG

PubChem

83161

ChemSpider

75029.0

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

(3,4-DICHLOROPHENYL)HYDRAZINE

Structure

Physicochemical Descriptors

Cross References