EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	59E55H42QF
EPA CompTox	DTXSID6073940

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

59E55H42QF

EPA CompTox

DTXSID6073940


InChI Key	LNKQQZFLNUVWQQ-UHFFFAOYSA-N
Smiles	ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI	InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H

InChI Key

LNKQQZFLNUVWQQ-UHFFFAOYSA-N

Smiles

ClC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChI

InChI=1S/C14H9Cl3/c15-9-14(10-1-5-12(16)6-2-10)11-3-7-13(17)8-4-11/h1-9H

Property Name	Value
Molecular Formula	C14H9Cl3
Molecular Weight	281.98
AlogP	5.62
Number of Rotational Bond	2.0
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H9Cl3

Molecular Weight

281.98

AlogP

5.62

Number of Rotational Bond

2.0

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	1022-22-6
NORMAN SUSDAT
FDA SRS	59E55H42QF
PubChem	98491
ChemSpider	88946.0

Resources

Reference

CAS NUMBER

1022-22-6

NORMAN SUSDAT

FDA SRS

59E55H42QF

PubChem

98491

ChemSpider

88946.0

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

1,1-BIS(P-CHLOROPHENYL)-2-CHLOROETHENE

Structure

Physicochemical Descriptors

Cross References