EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	66H2RF37V6
EPA CompTox	DTXSID5068106

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

66H2RF37V6

EPA CompTox

DTXSID5068106


InChI Key	MZFGYVZYLMNXGL-UHFFFAOYSA-N
Smiles	ClC(=O)CCCCCCCCC=C
InChI	InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2

InChI Key

MZFGYVZYLMNXGL-UHFFFAOYSA-N

Smiles

ClC(=O)CCCCCCCCC=C

InChI

InChI=1S/C11H19ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2

Property Name	Value
Molecular Formula	C11H19Cl1O1
Molecular Weight	202.11
AlogP	4.06
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	17.07
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H19Cl1O1

Molecular Weight

202.11

AlogP

4.06

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

17.07

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	38460-95-6
NORMAN SUSDAT
FDA SRS	66H2RF37V6
PubChem	38042
ChemSpider	34876.0

Resources

Reference

CAS NUMBER

38460-95-6

NORMAN SUSDAT

FDA SRS

66H2RF37V6

PubChem

38042

ChemSpider

34876.0

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...

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Last update: Monday, 3 November 2025

10-UNDECENOYL CHLORIDE

Structure

Physicochemical Descriptors

Cross References