EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D3BHJ6NH78
EPA CompTox	DTXSID00232889

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D3BHJ6NH78

EPA CompTox

DTXSID00232889


InChI Key	GHJUWGHWJYULLK-UHFFFAOYSA-N
Smiles	Oc1c2ccc(Br)c(O)c2ccc1Br
InChI	InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H

InChI Key

GHJUWGHWJYULLK-UHFFFAOYSA-N

Smiles

Oc1c2ccc(Br)c(O)c2ccc1Br

InChI

InChI=1S/C10H6Br2O2/c11-7-3-1-5-6(10(7)14)2-4-8(12)9(5)13/h1-4,13-14H

Property Name	Value
Molecular Formula	C10H6Br2O2
Molecular Weight	315.87
AlogP	3.78
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H6Br2O2

Molecular Weight

315.87

AlogP

3.78

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	84-59-3
NORMAN SUSDAT
FDA SRS	D3BHJ6NH78
PubChem	96260
ChemSpider	76929.0

Resources

Reference

CAS NUMBER

84-59-3

NORMAN SUSDAT

FDA SRS

D3BHJ6NH78

PubChem

96260

ChemSpider

76929.0

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...

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Last update: Monday, 3 November 2025

1,5-NAPHTHALENEDIOL, 2,6-DIBROMO-

Structure

Physicochemical Descriptors

Cross References