EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	D6F9GEB4P5
EPA CompTox	DTXSID60198679

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

D6F9GEB4P5

EPA CompTox

DTXSID60198679


InChI Key	WTZGPARNWJTIBL-UHFFFAOYSA-N
Smiles	Brc1cc2c(cc1)c1c(cc2)c2c(cc1)cc(Br)cc2
InChI	InChI=1S/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H

InChI Key

WTZGPARNWJTIBL-UHFFFAOYSA-N

Smiles

Brc1cc2c(cc1)c1c(cc2)c2c(cc1)cc(Br)cc2

InChI

InChI=1S/C18H10Br2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h1-10H

Property Name	Value
Molecular Formula	C18H10Br2
Molecular Weight	383.91
AlogP	6.67
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H10Br2

Molecular Weight

383.91

AlogP

6.67

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	50637-63-3
NORMAN SUSDAT
FDA SRS	D6F9GEB4P5
PubChem	3016536
ChemSpider	2284470.0

Resources

Reference

CAS NUMBER

50637-63-3

NORMAN SUSDAT

FDA SRS

D6F9GEB4P5

PubChem

3016536

ChemSpider

2284470.0

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

2,8-DIBROMOCHRYSENE

Structure

Physicochemical Descriptors

Cross References