EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	VF1Z07OS2Z
EPA CompTox	DTXSID9044166

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

VF1Z07OS2Z

EPA CompTox

DTXSID9044166


InChI Key	VWGNQYSIWFHEQU-KGEUUOKHSA-N
Smiles	ClC1C2C(C3OC13Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
InChI	InChI=1/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/s2

InChI Key

VWGNQYSIWFHEQU-KGEUUOKHSA-N

Smiles

ClC1C2C(C3OC13Cl)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

InChI

InChI=1/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/s2

Property Name	Value
Molecular Formula	C10H4Cl8O1
Molecular Weight	419.78
AlogP	5.02
Hydrogen Bond Acceptor	1.0
Polar Surface Area	12.53
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C10H4Cl8O1

Molecular Weight

419.78

AlogP

5.02

Hydrogen Bond Acceptor

1.0

Polar Surface Area

12.53

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	27304-13-8
NORMAN SUSDAT
FDA SRS	VF1Z07OS2Z
PubChem	33772
ChemSpider	31129.0

Resources

Reference

CAS NUMBER

27304-13-8

NORMAN SUSDAT

FDA SRS

VF1Z07OS2Z

PubChem

33772

ChemSpider

31129.0

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

OXYCHLORDANE

Structure

Physicochemical Descriptors

Cross References