EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WZG7DF5GHC
EPA CompTox	DTXSID00212843

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WZG7DF5GHC

EPA CompTox

DTXSID00212843


InChI Key	IXQUUGRFWVXBEZ-UHFFFAOYSA-N
Smiles	CC(=O)Oc1cc2c(cc1)cc(Br)cc2
InChI	InChI=1S/C12H9BrO2/c1-8(14)15-12-5-3-9-6-11(13)4-2-10(9)7-12/h2-7H,1H3

InChI Key

IXQUUGRFWVXBEZ-UHFFFAOYSA-N

Smiles

CC(=O)Oc1cc2c(cc1)cc(Br)cc2

InChI

InChI=1S/C12H9BrO2/c1-8(14)15-12-5-3-9-6-11(13)4-2-10(9)7-12/h2-7H,1H3

Property Name	Value
Molecular Formula	C12H9Br1O2
Molecular Weight	263.98
AlogP	3.53
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	26.3
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H9Br1O2

Molecular Weight

263.98

AlogP

3.53

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

26.3

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	6343-72-2
NORMAN SUSDAT
FDA SRS	WZG7DF5GHC
PubChem	80655
ChemSpider	72840.0

Resources

Reference

CAS NUMBER

6343-72-2

NORMAN SUSDAT

FDA SRS

WZG7DF5GHC

PubChem

80655

ChemSpider

72840.0

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-BROMO-2-NAPHTHYL ACETATE

Structure

Physicochemical Descriptors

Cross References