EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1052034

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1052034


InChI Key	WCLNVRQZUKYVAI-UHFFFAOYSA-N
Smiles	ClC1=C(Cl)C(Cl)=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl
InChI	InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H

InChI Key

WCLNVRQZUKYVAI-UHFFFAOYSA-N

Smiles

ClC1=C(Cl)C(Cl)=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl

InChI

InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H

Property Name	Value
Molecular Formula	C12HCl7O2
Molecular Weight	421.78
AlogP	8.16
Hydrogen Bond Acceptor	2.0
Polar Surface Area	18.46
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C12HCl7O2

Molecular Weight

421.78

AlogP

8.16

Hydrogen Bond Acceptor

2.0

Polar Surface Area

18.46

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	35822-46-9
NORMAN SUSDAT
PubChem	37270
ChemSpider	34207.0

Resources

Reference

CAS NUMBER

35822-46-9

NORMAN SUSDAT

PubChem

37270

ChemSpider

34207.0

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

1,2,3,4,6,7,8-HEPTACHLORODIBENZODIOXIN (1,2,3,4,6,7,8-H7CDD)

Structure

Physicochemical Descriptors

Cross References