EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7RD9K54G92
EPA CompTox	DTXSID6065975

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7RD9K54G92

EPA CompTox

DTXSID6065975


InChI Key	QWHOIFRYXGBPRO-UHFFFAOYSA-N
Smiles	ClC(=O)CCCCCCCCCCBr
InChI	InChI=1S/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2

InChI Key

QWHOIFRYXGBPRO-UHFFFAOYSA-N

Smiles

ClC(=O)CCCCCCCCCCBr

InChI

InChI=1S/C11H20BrClO/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2

Property Name	Value
Molecular Formula	C11H20Br1Cl1O1
Molecular Weight	282.04
AlogP	4.66
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	10.0
Polar Surface Area	17.07
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H20Br1Cl1O1

Molecular Weight

282.04

AlogP

4.66

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

10.0

Polar Surface Area

17.07

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	15949-84-5
NORMAN SUSDAT
FDA SRS	7RD9K54G92
PubChem	85202
ChemSpider	76837.0

Resources

Reference

CAS NUMBER

15949-84-5

NORMAN SUSDAT

FDA SRS

7RD9K54G92

PubChem

85202

ChemSpider

76837.0

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

UNDECANOYL CHLORIDE, 11-BROMO-

Structure

Physicochemical Descriptors

Cross References