EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H889XA2CKB
EPA CompTox	DTXSID20204745

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H889XA2CKB

EPA CompTox

DTXSID20204745


InChI Key	RORBTKDJFQCFMD-UHFFFAOYSA-N
Smiles	OC1C(Cl)(Cl)CCCC1(Cl)Cl
InChI	InChI=1S/C6H8Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2

InChI Key

RORBTKDJFQCFMD-UHFFFAOYSA-N

Smiles

OC1C(Cl)(Cl)CCCC1(Cl)Cl

InChI

InChI=1S/C6H8Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h4,11H,1-3H2

Property Name	Value
Molecular Formula	C6H8Cl4O1
Molecular Weight	235.93
AlogP	2.88
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H8Cl4O1

Molecular Weight

235.93

AlogP

2.88

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	56207-45-5
NORMAN SUSDAT
FDA SRS	H889XA2CKB
PubChem	92061
ChemSpider	83121.0

Resources

Reference

CAS NUMBER

56207-45-5

NORMAN SUSDAT

FDA SRS

H889XA2CKB

PubChem

92061

ChemSpider

83121.0

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

2,2,6,6-TETRACHLOROCYCLOHEXANOL

Structure

Physicochemical Descriptors

Cross References