EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J2K8JX2FAK
EPA CompTox	DTXSID80211399

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J2K8JX2FAK

EPA CompTox

DTXSID80211399


InChI Key	DMARBQGIQKLIPM-UHFFFAOYSA-N
Smiles	Cc1c(Br)cccc1Cl
InChI	InChI=1S/C7H6BrCl/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChI Key

DMARBQGIQKLIPM-UHFFFAOYSA-N

Smiles

Cc1c(Br)cccc1Cl

InChI

InChI=1S/C7H6BrCl/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Property Name	Value
Molecular Formula	C7H6Br1Cl1
Molecular Weight	203.93
AlogP	3.41
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C7H6Br1Cl1

Molecular Weight

203.93

AlogP

3.41

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	62356-27-8
NORMAN SUSDAT
FDA SRS	J2K8JX2FAK
PubChem	123552
ChemSpider	110146.0

Resources

Reference

CAS NUMBER

62356-27-8

NORMAN SUSDAT

FDA SRS

J2K8JX2FAK

PubChem

123552

ChemSpider

110146.0

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-BROMO-6-CHLOROTOLUENE

Structure

Physicochemical Descriptors

Cross References