EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70232639

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70232639


InChI Key	SSCVXWJUAAXOLL-UHFFFAOYSA-N
Smiles	ClC(=O)C1(CC1)c1ccc(Cl)cc1Cl
InChI	InChI=1S/C10H7Cl3O/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2

InChI Key

SSCVXWJUAAXOLL-UHFFFAOYSA-N

Smiles

ClC(=O)C1(CC1)c1ccc(Cl)cc1Cl

InChI

InChI=1S/C10H7Cl3O/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2

Property Name	Value
Molecular Formula	C10H7Cl3O1
Molecular Weight	247.96
AlogP	3.79
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	17.07
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H7Cl3O1

Molecular Weight

247.96

AlogP

3.79

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

17.07

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	83783-49-7
NORMAN SUSDAT
PubChem	3019290
ChemSpider	2286564.0

Resources

Reference

CAS NUMBER

83783-49-7

NORMAN SUSDAT

PubChem

3019290

ChemSpider

2286564.0

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-(2,4-DICHLOROPHENYL)CYCLOPROPANECARBONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References