EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4FP19MG2DZ
EPA CompTox	DTXSID10184244

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4FP19MG2DZ

EPA CompTox

DTXSID10184244


InChI Key	DOTSLXAPJSPHJZ-UHFFFAOYSA-N
Smiles	Brc1c(Br)c(Br)c(C=C)cc1
InChI	InChI=1S/C8H5Br3/c1-2-5-3-4-6(9)8(11)7(5)10/h2-4H,1H2

InChI Key

DOTSLXAPJSPHJZ-UHFFFAOYSA-N

Smiles

Brc1c(Br)c(Br)c(C=C)cc1

InChI

InChI=1S/C8H5Br3/c1-2-5-3-4-6(9)8(11)7(5)10/h2-4H,1H2

Property Name	Value
Molecular Formula	C8H5Br3
Molecular Weight	337.79
AlogP	4.62
Number of Rotational Bond	1.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H5Br3

Molecular Weight

337.79

AlogP

4.62

Number of Rotational Bond

1.0

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	30157-74-5
NORMAN SUSDAT
FDA SRS	4FP19MG2DZ
PubChem	121643

Resources

Reference

CAS NUMBER

30157-74-5

NORMAN SUSDAT

FDA SRS

4FP19MG2DZ

PubChem

121643

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2,3,4-TRIBROMOSTYRENE

Structure

Physicochemical Descriptors

Cross References