EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GFX962C1M8
EPA CompTox	DTXSID60225439

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GFX962C1M8

EPA CompTox

DTXSID60225439


InChI Key	QFXILFJMBHEURG-UHFFFAOYSA-N
Smiles	OC1=CC=C2OC3=CC(Cl)=C(Cl)C=C3C2=C1
InChI	InChI=1S/C12H6Cl2O2/c13-9-4-8-7-3-6(15)1-2-11(7)16-12(8)5-10(9)14/h1-5,15H

InChI Key

QFXILFJMBHEURG-UHFFFAOYSA-N

Smiles

OC1=CC=C2OC3=CC(Cl)=C(Cl)C=C3C2=C1

InChI

InChI=1S/C12H6Cl2O2/c13-9-4-8-7-3-6(15)1-2-11(7)16-12(8)5-10(9)14/h1-5,15H

Property Name	Value
Molecular Formula	C12H6Cl2O2
Molecular Weight	251.97
AlogP	4.6
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	33.37
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H6Cl2O2

Molecular Weight

251.97

AlogP

4.6

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

33.37

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	74423-77-1
NORMAN SUSDAT
FDA SRS	GFX962C1M8

Resources

Reference

CAS NUMBER

74423-77-1

NORMAN SUSDAT

FDA SRS

GFX962C1M8

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

7,8-DICHLORO-2-DIBENZOFURANOL

Structure

Physicochemical Descriptors

Cross References