EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JZ45RX8YJ4
EPA CompTox	DTXSID4070873

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JZ45RX8YJ4

EPA CompTox

DTXSID4070873


InChI Key	XSOMCPNEAAAZNZ-UHFFFAOYSA-N
Smiles	C/C=C(Cl)/Br
InChI	InChI=1S/C3H4BrCl/c1-2-3(4)5/h2H,1H3/b3-2-

InChI Key

XSOMCPNEAAAZNZ-UHFFFAOYSA-N

Smiles

C/C=C(Cl)/Br

InChI

InChI=1S/C3H4BrCl/c1-2-3(4)5/h2H,1H3/b3-2-

Property Name	Value
Molecular Formula	C3H4Br1Cl1
Molecular Weight	153.92
AlogP	2.48
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H4Br1Cl1

Molecular Weight

153.92

AlogP

2.48

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	41866-34-6
NORMAN SUSDAT
FDA SRS	JZ45RX8YJ4
PubChem	106180
ChemSpider	4941758.0

Resources

Reference

CAS NUMBER

41866-34-6

NORMAN SUSDAT

FDA SRS

JZ45RX8YJ4

PubChem

106180

ChemSpider

4941758.0

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

1-PROPENE, 1-BROMO-1-CHLORO-

Structure

Physicochemical Descriptors

Cross References