EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H43Q8YE7MR
EPA CompTox	DTXSID80209498

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H43Q8YE7MR

EPA CompTox

DTXSID80209498


InChI Key	KPAIAQWSRMSXDB-UHFFFAOYSA-N
Smiles	CCOCCOC(=O)CCl
InChI	InChI=1S/C6H11ClO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3

InChI Key

KPAIAQWSRMSXDB-UHFFFAOYSA-N

Smiles

CCOCCOC(=O)CCl

InChI

InChI=1S/C6H11ClO3/c1-2-9-3-4-10-6(8)5-7/h2-5H2,1H3

Property Name	Value
Molecular Formula	C6H11Cl1O3
Molecular Weight	166.04
AlogP	0.8
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	35.53
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H11Cl1O3

Molecular Weight

166.04

AlogP

0.8

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

35.53

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	60682-94-2
NORMAN SUSDAT
FDA SRS	H43Q8YE7MR
PubChem	108995
ChemSpider	98014.0

Resources

Reference

CAS NUMBER

60682-94-2

NORMAN SUSDAT

FDA SRS

H43Q8YE7MR

PubChem

108995

ChemSpider

98014.0

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-ETHOXYETHYL CHLOROACETATE

Structure

Physicochemical Descriptors

Cross References