EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AR9ZF2JB5P
EPA CompTox	DTXSID50178021

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AR9ZF2JB5P

EPA CompTox

DTXSID50178021


InChI Key	APJKOQPCHGXQBI-UHFFFAOYSA-N
Smiles	ClCc1cc2c(OCO2)cc1Cl
InChI	InChI=1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2

InChI Key

APJKOQPCHGXQBI-UHFFFAOYSA-N

Smiles

ClCc1cc2c(OCO2)cc1Cl

InChI

InChI=1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2

Property Name	Value
Molecular Formula	C8H6Cl2O2
Molecular Weight	203.97
AlogP	2.81
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	18.46
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C8H6Cl2O2

Molecular Weight

203.97

AlogP

2.81

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

18.46

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	23468-31-7
NORMAN SUSDAT
FDA SRS	AR9ZF2JB5P
PubChem	90113
ChemSpider	81349.0

Resources

Reference

CAS NUMBER

23468-31-7

NORMAN SUSDAT

FDA SRS

AR9ZF2JB5P

PubChem

90113

ChemSpider

81349.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

6-CHLOROPIPERONYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References