EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	86OZJ65140
EPA CompTox	DTXSID90179113

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

86OZJ65140

EPA CompTox

DTXSID90179113


InChI Key	YADZSMVDNYXOOB-UHFFFAOYSA-N
Smiles	Oc1c(Br)c(O)c(Br)cc1Br
InChI	InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

InChI Key

YADZSMVDNYXOOB-UHFFFAOYSA-N

Smiles

Oc1c(Br)c(O)c(Br)cc1Br

InChI

InChI=1S/C6H3Br3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H

Property Name	Value
Molecular Formula	C6H3Br3O2
Molecular Weight	343.77
AlogP	3.39
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	40.46
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H3Br3O2

Molecular Weight

343.77

AlogP

3.39

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

40.46

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	2437-49-2
NORMAN SUSDAT
FDA SRS	86OZJ65140
PubChem	17094
ChemSpider	16179.0

Resources

Reference

CAS NUMBER

2437-49-2

NORMAN SUSDAT

FDA SRS

86OZJ65140

PubChem

17094

ChemSpider

16179.0

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

2,4,6-TRIBROMORESORCINOL

Structure

Physicochemical Descriptors

Cross References