EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Q8JA407327
EPA CompTox	DTXSID0061791

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Q8JA407327

EPA CompTox

DTXSID0061791


InChI Key	LPUUYZVKCMCHLO-UHFFFAOYSA-N
Smiles	Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)NC2=O
InChI	InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)

InChI Key

LPUUYZVKCMCHLO-UHFFFAOYSA-N

Smiles

Clc1c(Cl)c(Cl)c(Cl)c2c1C(=O)NC2=O

InChI

InChI=1S/C8HCl4NO2/c9-3-1-2(8(15)13-7(1)14)4(10)6(12)5(3)11/h(H,13,14,15)

Property Name	Value
Molecular Formula	C8H1Cl4N1O2
Molecular Weight	282.88
AlogP	3.76
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	49.66
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H1Cl4N1O2

Molecular Weight

282.88

AlogP

3.76

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

49.66

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	1571-13-7
NORMAN SUSDAT
FDA SRS	Q8JA407327
PubChem	74077
ChemSpider	66694.0

Resources

Reference

CAS NUMBER

1571-13-7

NORMAN SUSDAT

FDA SRS

Q8JA407327

PubChem

74077

ChemSpider

66694.0

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-

Structure

Physicochemical Descriptors

Cross References