EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	93O23N0574
EPA CompTox	DTXSID60207538

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

93O23N0574

EPA CompTox

DTXSID60207538


InChI Key	JODWPAQNABOHDG-UHFFFAOYSA-N
Smiles	Clc1ccc2oc3cc(Cl)c(Cl)cc3c2c1Cl
InChI	InChI=1S/C12H4Cl4O/c13-6-1-2-9-11(12(6)16)5-3-7(14)8(15)4-10(5)17-9/h1-4H

InChI Key

JODWPAQNABOHDG-UHFFFAOYSA-N

Smiles

Clc1ccc2oc3cc(Cl)c(Cl)cc3c2c1Cl

InChI

InChI=1S/C12H4Cl4O/c13-6-1-2-9-11(12(6)16)5-3-7(14)8(15)4-10(5)17-9/h1-4H

Property Name	Value
Molecular Formula	C12H4Cl4O1
Molecular Weight	303.9
AlogP	6.2
Hydrogen Bond Acceptor	1.0
Polar Surface Area	13.14
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C12H4Cl4O1

Molecular Weight

303.9

AlogP

6.2

Hydrogen Bond Acceptor

1.0

Polar Surface Area

13.14

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	58802-20-3
NORMAN SUSDAT
FDA SRS	93O23N0574
PubChem	42844
ChemSpider	39079.0

Resources

Reference

CAS NUMBER

58802-20-3

NORMAN SUSDAT

FDA SRS

93O23N0574

PubChem

42844

ChemSpider

39079.0

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

1,2,7,8-TETRACHLORODIBENZOFURAN

Structure

Physicochemical Descriptors

Cross References