EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XJ6G477JMP
EPA CompTox	DTXSID90173313

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XJ6G477JMP

EPA CompTox

DTXSID90173313


InChI Key	FGHCYIPZQUMLRQ-UHFFFAOYSA-N
Smiles	BrC1=CC(=O)C=C(Br)C1=O
InChI	InChI=1S/C6H2Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

InChI Key

FGHCYIPZQUMLRQ-UHFFFAOYSA-N

Smiles

BrC1=CC(=O)C=C(Br)C1=O

InChI

InChI=1S/C6H2Br2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

Property Name	Value
Molecular Formula	C6H2Br2O2
Molecular Weight	263.84
AlogP	1.7
Hydrogen Bond Acceptor	2.0
Polar Surface Area	34.14
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C6H2Br2O2

Molecular Weight

263.84

AlogP

1.7

Hydrogen Bond Acceptor

2.0

Polar Surface Area

34.14

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	19643-45-9
NORMAN SUSDAT
FDA SRS	XJ6G477JMP
PubChem	88175
ChemSpider	79547.0

Resources

Reference

CAS NUMBER

19643-45-9

NORMAN SUSDAT

FDA SRS

XJ6G477JMP

PubChem

88175

ChemSpider

79547.0

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

2,6-DIBROMOBENZOQUINONE

Structure

Physicochemical Descriptors

Cross References