EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	5JYT2MMY8V
EPA CompTox	DTXSID30948744

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

5JYT2MMY8V

EPA CompTox

DTXSID30948744


InChI Key	BTMPLMJADSPMBB-UHFFFAOYSA-N
Smiles	BrCC(Br)C1=CC=CC(=C1)C(Br)CBr
InChI	InChI=1/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2

InChI Key

BTMPLMJADSPMBB-UHFFFAOYSA-N

Smiles

BrCC(Br)C1=CC=CC(=C1)C(Br)CBr

InChI

InChI=1/C10H10Br4/c11-5-9(13)7-2-1-3-8(4-7)10(14)6-12/h1-4,9-10H,5-6H2

Property Name	Value
Molecular Formula	C10H10Br4
Molecular Weight	445.75
AlogP	5.35
Number of Rotational Bond	4.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H10Br4

Molecular Weight

445.75

AlogP

5.35

Number of Rotational Bond

4.0

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	25850-49-1
NORMAN SUSDAT
FDA SRS	5JYT2MMY8V
PubChem	117280

Resources

Reference

CAS NUMBER

25850-49-1

NORMAN SUSDAT

FDA SRS

5JYT2MMY8V

PubChem

117280

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

1,3-BIS(1,2-DIBROMOETHYL)BENZENE

Structure

Physicochemical Descriptors

Cross References