EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	IJ6KQ009YO
EPA CompTox	DTXSID3061138

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

IJ6KQ009YO

EPA CompTox

DTXSID3061138


InChI Key	IWKMQNKKYZERHI-UHFFFAOYSA-N
Smiles	Clc1ccccc1NNc1ccccc1Cl
InChI	InChI=1S/C12H10Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8,15-16H

InChI Key

IWKMQNKKYZERHI-UHFFFAOYSA-N

Smiles

Clc1ccccc1NNc1ccccc1Cl

InChI

InChI=1S/C12H10Cl2N2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8,15-16H

Property Name	Value
Molecular Formula	C12H10Cl2N2
Molecular Weight	252.02
AlogP	4.43
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	24.06
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H10Cl2N2

Molecular Weight

252.02

AlogP

4.43

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

24.06

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	782-74-1
NORMAN SUSDAT
FDA SRS	IJ6KQ009YO
PubChem	3032354
ChemSpider	2297348.0

Resources

Reference

CAS NUMBER

782-74-1

NORMAN SUSDAT

FDA SRS

IJ6KQ009YO

PubChem

3032354

ChemSpider

2297348.0

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

1,2-BIS(2-CHLOROPHENYL)HYDRAZINE

Structure

Physicochemical Descriptors

Cross References