EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W9S75P5MUJ
EPA CompTox	DTXSID0075100

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W9S75P5MUJ

EPA CompTox

DTXSID0075100


InChI Key	VKESFYLPKHQOOA-UHFFFAOYSA-N
Smiles	Oc1ccc2cc(Br)ccc2c1Br
InChI	InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H

InChI Key

VKESFYLPKHQOOA-UHFFFAOYSA-N

Smiles

Oc1ccc2cc(Br)ccc2c1Br

InChI

InChI=1S/C10H6Br2O/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12/h1-5,13H

Property Name	Value
Molecular Formula	C10H6Br2O1
Molecular Weight	299.88
AlogP	4.07
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H6Br2O1

Molecular Weight

299.88

AlogP

4.07

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	16239-18-2
NORMAN SUSDAT
FDA SRS	W9S75P5MUJ
PubChem	27768
ChemSpider	25837.0

Resources

Reference

CAS NUMBER

16239-18-2

NORMAN SUSDAT

FDA SRS

W9S75P5MUJ

PubChem

27768

ChemSpider

25837.0

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

1,6-DIBROMO-2-NAPHTHOL

Structure

Physicochemical Descriptors

Cross References