EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID80172375

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID80172375


InChI Key	OFZRSOGEOFHZKS-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br
InChI	InChI=1S/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3

InChI Key

OFZRSOGEOFHZKS-UHFFFAOYSA-N

Smiles

CC(=C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1Br

InChI

InChI=1S/C10H5Br5O2/c1-3(2)10(16)17-9-7(14)5(12)4(11)6(13)8(9)15/h1H2,2H3

Property Name	Value
Molecular Formula	C10H5Br5O2
Molecular Weight	551.62
AlogP	5.98
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	26.3
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C10H5Br5O2

Molecular Weight

551.62

AlogP

5.98

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

26.3

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	18967-31-2
NORMAN SUSDAT
PubChem	87871
ChemSpider	79275.0

Resources

Reference

CAS NUMBER

18967-31-2

NORMAN SUSDAT

PubChem

87871

ChemSpider

79275.0

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

PERBROMOPHENYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References