EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SGC9M9H46F
EPA CompTox	DTXSID90197953

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SGC9M9H46F

EPA CompTox

DTXSID90197953


InChI Key	FOLRKRMAFDGZRR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)C(Cl)Cl
InChI	InChI=1S/C6H10Cl2O2/c1-6(2,3)10-5(9)4(7)8/h4H,1-3H3

InChI Key

FOLRKRMAFDGZRR-UHFFFAOYSA-N

Smiles

CC(C)(C)OC(=O)C(Cl)Cl

InChI

InChI=1S/C6H10Cl2O2/c1-6(2,3)10-5(9)4(7)8/h4H,1-3H3

Property Name	Value
Molecular Formula	C6H10Cl2O2
Molecular Weight	184.01
AlogP	2.13
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	26.3
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H10Cl2O2

Molecular Weight

184.01

AlogP

2.13

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

26.3

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	49653-47-6
NORMAN SUSDAT
FDA SRS	SGC9M9H46F
PubChem	3016483
ChemSpider	2284423.0

Resources

Reference

CAS NUMBER

49653-47-6

NORMAN SUSDAT

FDA SRS

SGC9M9H46F

PubChem

3016483

ChemSpider

2284423.0

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

1,1-DIMETHYLETHYL DICHLOROACETATE

Structure

Physicochemical Descriptors

Cross References