EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	C54DZ85Z8H
EPA CompTox	DTXSID80189908

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

C54DZ85Z8H

EPA CompTox

DTXSID80189908


InChI Key	WRTAZRGRFBCKBU-UHFFFAOYSA-N
Smiles	Nc1c(Br)ccc(Br)c1
InChI	InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

InChI Key

WRTAZRGRFBCKBU-UHFFFAOYSA-N

Smiles

Nc1c(Br)ccc(Br)c1

InChI

InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

Property Name	Value
Molecular Formula	C6H5Br2N1
Molecular Weight	248.88
AlogP	2.79
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H5Br2N1

Molecular Weight

248.88

AlogP

2.79

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	3638-73-1
NORMAN SUSDAT
FDA SRS	C54DZ85Z8H
PubChem	77198
ChemSpider	15924.0

Resources

Reference

CAS NUMBER

3638-73-1

NORMAN SUSDAT

FDA SRS

C54DZ85Z8H

PubChem

77198

ChemSpider

15924.0

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

2,5-DIBROMOANILINE

Structure

Physicochemical Descriptors

Cross References