EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R8FGF42R4A
EPA CompTox	DTXSID6073996

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R8FGF42R4A

EPA CompTox

DTXSID6073996


InChI Key	VXWVFZFZYXOBTA-UHFFFAOYSA-N
Smiles	Brc1cc2c([nH]cc2)cc1
InChI	InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

InChI Key

VXWVFZFZYXOBTA-UHFFFAOYSA-N

Smiles

Brc1cc2c([nH]cc2)cc1

InChI

InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Property Name	Value
Molecular Formula	C8H6Br1N1
Molecular Weight	194.97
AlogP	2.93
Hydrogen Bond Donor	1.0
Polar Surface Area	15.79
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H6Br1N1

Molecular Weight

194.97

AlogP

2.93

Hydrogen Bond Donor

1.0

Polar Surface Area

15.79

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	10075-50-0
NORMAN SUSDAT
FDA SRS	R8FGF42R4A
PubChem	24905
ChemSpider	23286.0

Resources

Reference

CAS NUMBER

10075-50-0

NORMAN SUSDAT

FDA SRS

R8FGF42R4A

PubChem

24905

ChemSpider

23286.0

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...

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

Last update: Monday, 3 November 2025

1H-INDOLE, 5-BROMO-

Structure

Physicochemical Descriptors

Cross References