EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E90X846H9S
EPA CompTox	DTXSID4038346

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E90X846H9S

EPA CompTox

DTXSID4038346


InChI Key	BIWJNBZANLAXMG-MPPHZFHBSA-N
Smiles	[H][C@]12C[C@@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
InChI	InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1

InChI Key

BIWJNBZANLAXMG-MPPHZFHBSA-N

Smiles

[H][C@]12C[C@@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl

InChI

InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1

Property Name	Value
Molecular Formula	C10H6Cl8
Molecular Weight	405.8
AlogP	5.68
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C10H6Cl8

Molecular Weight

405.8

AlogP

5.68

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	5103-74-2
NORMAN SUSDAT
FDA SRS	E90X846H9S
PubChem	45356234
ChemSpider	32818283.0

Resources

Reference

CAS NUMBER

5103-74-2

NORMAN SUSDAT

FDA SRS

E90X846H9S

PubChem

45356234

ChemSpider

32818283.0

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

TRANS-CHLORDANE

Structure

Physicochemical Descriptors

Cross References