EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6VH3M94VS7
EPA CompTox	DTXSID40204065

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6VH3M94VS7

EPA CompTox

DTXSID40204065


InChI Key	AZZCHVHSWUYCQA-UHFFFAOYSA-N
Smiles	CCCCCCCCCCOC(=O)Cl
InChI	InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3

InChI Key

AZZCHVHSWUYCQA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCOC(=O)Cl

InChI

InChI=1S/C11H21ClO2/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3

Property Name	Value
Molecular Formula	C11H21Cl1O2
Molecular Weight	220.12
AlogP	4.5
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	26.3
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H21Cl1O2

Molecular Weight

220.12

AlogP

4.5

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

26.3

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	55488-51-2
NORMAN SUSDAT
FDA SRS	6VH3M94VS7
PubChem	108727
ChemSpider	97767.0

Resources

Reference

CAS NUMBER

55488-51-2

NORMAN SUSDAT

FDA SRS

6VH3M94VS7

PubChem

108727

ChemSpider

97767.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DECYL CHLOROFORMATE

Structure

Physicochemical Descriptors

Cross References