EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	DZ4L5LW5SK
EPA CompTox	DTXSID1070806

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

DZ4L5LW5SK

EPA CompTox

DTXSID1070806


InChI Key	CUOUGOZXZOFWRN-UHFFFAOYSA-N
Smiles	CCCCCCCN1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
InChI	InChI=1S/C15H15Cl4NO2/c1-2-3-4-5-6-7-20-14(21)8-9(15(20)22)11(17)13(19)12(18)10(8)16/h2-7H2,1H3

InChI Key

CUOUGOZXZOFWRN-UHFFFAOYSA-N

Smiles

CCCCCCCN1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl

InChI

InChI=1S/C15H15Cl4NO2/c1-2-3-4-5-6-7-20-14(21)8-9(15(20)22)11(17)13(19)12(18)10(8)16/h2-7H2,1H3

Property Name	Value
Molecular Formula	C15H15Cl4N1O2
Molecular Weight	380.99
AlogP	5.87
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	37.38
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H15Cl4N1O2

Molecular Weight

380.99

AlogP

5.87

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

37.38

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	67905-37-7
NORMAN SUSDAT
FDA SRS	DZ4L5LW5SK
PubChem	106042
ChemSpider	95534.0

Resources

Reference

CAS NUMBER

67905-37-7

NORMAN SUSDAT

FDA SRS

DZ4L5LW5SK

PubChem

106042

ChemSpider

95534.0

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

1H-ISOINDOLE-1,3(2H)-DIONE, 4,5,6,7-TETRACHLORO-2-HEPTYL-

Structure

Physicochemical Descriptors

Cross References