EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Z3C6ZZ433S
EPA CompTox	DTXSID40234004

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Z3C6ZZ433S

EPA CompTox

DTXSID40234004


InChI Key	CLGGAEHNDWBJKR-UHFFFAOYSA-N
Smiles	ClCC1(OCCO1)c1c(Cl)cc(Cl)cc1
InChI	InChI=1S/C10H9Cl3O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2

InChI Key

CLGGAEHNDWBJKR-UHFFFAOYSA-N

Smiles

ClCC1(OCCO1)c1c(Cl)cc(Cl)cc1

InChI

InChI=1S/C10H9Cl3O2/c11-6-10(14-3-4-15-10)8-2-1-7(12)5-9(8)13/h1-2,5H,3-4,6H2

Property Name	Value
Molecular Formula	C10H9Cl3O2
Molecular Weight	265.97
AlogP	3.43
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	18.46
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C10H9Cl3O2

Molecular Weight

265.97

AlogP

3.43

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

18.46

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	84962-76-5
NORMAN SUSDAT
FDA SRS	Z3C6ZZ433S
PubChem	11970885
ChemSpider	10144266.0

Resources

Reference

CAS NUMBER

84962-76-5

NORMAN SUSDAT

FDA SRS

Z3C6ZZ433S

PubChem

11970885

ChemSpider

10144266.0

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-(CHLOROMETHYL)-2-(2,4-DICHLOROPHENYL)-1,3-DIOXOLANE

Structure

Physicochemical Descriptors

Cross References