EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EP4Q7AMQ8Y
EPA CompTox	DTXSID90190141

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EP4Q7AMQ8Y

EPA CompTox

DTXSID90190141


InChI Key	GZRMNMGWNKSANY-UHFFFAOYSA-N
Smiles	FC1=CC(Br)=CC=C1N
InChI	InChI=1/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

InChI Key

GZRMNMGWNKSANY-UHFFFAOYSA-N

Smiles

FC1=CC(Br)=CC=C1N

InChI

InChI=1/C6H5BrFN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Property Name	Value
Molecular Formula	C6H5BrFN
Molecular Weight	188.96
AlogP	2.17
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	26.02
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H5BrFN

Molecular Weight

188.96

AlogP

2.17

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

26.02

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	367-24-8
NORMAN SUSDAT
FDA SRS	EP4Q7AMQ8Y
PubChem	123050

Resources

Reference

CAS NUMBER

367-24-8

NORMAN SUSDAT

FDA SRS

EP4Q7AMQ8Y

PubChem

123050

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

4-BROMO-2-FLUOROANILINE

Structure

Physicochemical Descriptors

Cross References