EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6PM4HK5WJ6
EPA CompTox	DTXSID90169579

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6PM4HK5WJ6

EPA CompTox

DTXSID90169579


InChI Key	HJTAZXHBEBIQQX-UHFFFAOYSA-N
Smiles	ClCc1cccc2c(CCl)cccc12
InChI	InChI=1S/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2

InChI Key

HJTAZXHBEBIQQX-UHFFFAOYSA-N

Smiles

ClCc1cccc2c(CCl)cccc12

InChI

InChI=1S/C12H10Cl2/c13-7-9-3-1-5-11-10(8-14)4-2-6-12(9)11/h1-6H,7-8H2

Property Name	Value
Molecular Formula	C12H10Cl2
Molecular Weight	224.02
AlogP	4.32
Number of Rotational Bond	2.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H10Cl2

Molecular Weight

224.02

AlogP

4.32

Number of Rotational Bond

2.0

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1733-76-2
NORMAN SUSDAT
FDA SRS	6PM4HK5WJ6
PubChem	74424
ChemSpider	67016.0

Resources

Reference

CAS NUMBER

1733-76-2

NORMAN SUSDAT

FDA SRS

6PM4HK5WJ6

PubChem

74424

ChemSpider

67016.0

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

1,5-BIS(CHLOROMETHYL)NAPHTHALENE

Structure

Physicochemical Descriptors

Cross References