EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H4MDV5T3VB
EPA CompTox	DTXSID30233607

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H4MDV5T3VB

EPA CompTox

DTXSID30233607


InChI Key	GWWGPHYWSMOSOL-UHFFFAOYSA-N
Smiles	Cc1c(Cc2c(C)cc(Cl)cc2)ccc(Cl)c1
InChI	InChI=1S/C15H14Cl2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/h3-8H,9H2,1-2H3

InChI Key

GWWGPHYWSMOSOL-UHFFFAOYSA-N

Smiles

Cc1c(Cc2c(C)cc(Cl)cc2)ccc(Cl)c1

InChI

InChI=1S/C15H14Cl2/c1-10-7-14(16)5-3-12(10)9-13-4-6-15(17)8-11(13)2/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	84604-91-1
NORMAN SUSDAT
FDA SRS	H4MDV5T3VB
PubChem	44151522
ChemSpider	21164263.0

Resources

Reference

CAS NUMBER

84604-91-1

NORMAN SUSDAT

FDA SRS

H4MDV5T3VB

PubChem

44151522

ChemSpider

21164263.0

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(5-CHLOROTOLUENE)

Structure

Physicochemical Descriptors

Cross References