EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	43F4ZXZ3L9
EPA CompTox	DTXSID90233608

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

43F4ZXZ3L9

EPA CompTox

DTXSID90233608


InChI Key	IPCSHCYNSPEQJG-UHFFFAOYSA-N
Smiles	Cc1c(Cc2c(C)cccc2Cl)c(Cl)ccc1
InChI	InChI=1S/C15H14Cl2/c1-10-5-3-7-14(16)12(10)9-13-11(2)6-4-8-15(13)17/h3-8H,9H2,1-2H3

InChI Key

IPCSHCYNSPEQJG-UHFFFAOYSA-N

Smiles

Cc1c(Cc2c(C)cccc2Cl)c(Cl)ccc1

InChI

InChI=1S/C15H14Cl2/c1-10-5-3-7-14(16)12(10)9-13-11(2)6-4-8-15(13)17/h3-8H,9H2,1-2H3

Property Name	Value
Molecular Formula	C15H14Cl2
Molecular Weight	264.05
AlogP	5.2
Number of Rotational Bond	2.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H14Cl2

Molecular Weight

264.05

AlogP

5.2

Number of Rotational Bond

2.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	84604-92-2
NORMAN SUSDAT
FDA SRS	43F4ZXZ3L9
PubChem	44153014
ChemSpider	21164264.0

Resources

Reference

CAS NUMBER

84604-92-2

NORMAN SUSDAT

FDA SRS

43F4ZXZ3L9

PubChem

44153014

ChemSpider

21164264.0

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

2,2'-METHYLENEBIS(3-CHLOROTOLUENE)

Structure

Physicochemical Descriptors

Cross References