EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L0Q9DRK4W8
EPA CompTox	DTXSID4020589

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L0Q9DRK4W8

EPA CompTox

DTXSID4020589


InChI Key	QFMDFTQOJHFVNR-UHFFFAOYSA-N
Smiles	CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1
InChI	InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3

InChI Key

QFMDFTQOJHFVNR-UHFFFAOYSA-N

Smiles

CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1

InChI

InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C18H20Cl2
Molecular Weight	306.09
AlogP	5.75
Number of Rotational Bond	5.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H20Cl2

Molecular Weight

306.09

AlogP

5.75

Number of Rotational Bond

5.0

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	72-56-0
NORMAN SUSDAT
FDA SRS	L0Q9DRK4W8
PubChem	6295
ChemSpider	6058.0

Resources

Reference

CAS NUMBER

72-56-0

NORMAN SUSDAT

FDA SRS

L0Q9DRK4W8

PubChem

6295

ChemSpider

6058.0

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

P,P'-ETHYL-DDD

Structure

Physicochemical Descriptors

Cross References