EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F7J83Z8NHR
EPA CompTox	DTXSID80178195

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F7J83Z8NHR

EPA CompTox

DTXSID80178195


InChI Key	DWNXGZBXFDNKOR-UHFFFAOYSA-N
Smiles	FC1=CC(Br)=CC=C1OC
InChI	InChI=1/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

InChI Key

DWNXGZBXFDNKOR-UHFFFAOYSA-N

Smiles

FC1=CC(Br)=CC=C1OC

InChI

InChI=1/C7H6BrFO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Property Name	Value
Molecular Formula	C7H6BrFO
Molecular Weight	203.96
AlogP	2.6
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	9.23
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H6BrFO

Molecular Weight

203.96

AlogP

2.6

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

9.23

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	2357-52-0
NORMAN SUSDAT
FDA SRS	F7J83Z8NHR
PubChem	75378

Resources

Reference

CAS NUMBER

2357-52-0

NORMAN SUSDAT

FDA SRS

F7J83Z8NHR

PubChem

75378

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-FLUOROANISOLE

Structure

Physicochemical Descriptors

Cross References