EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	M19W98JRAT
EPA CompTox	DTXSID60199449

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

M19W98JRAT

EPA CompTox

DTXSID60199449


InChI Key	MPNMNLLETRXDEX-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC(=O)OCCCl
InChI	InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3

InChI Key

MPNMNLLETRXDEX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)OCCCl

InChI

InChI=1S/C16H31ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)19-15-14-17/h2-15H2,1H3

Property Name	Value
Molecular Formula	C16H31Cl1O2
Molecular Weight	290.2
AlogP	5.47
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	26.3
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H31Cl1O2

Molecular Weight

290.2

AlogP

5.47

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

26.3

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	51479-36-8
NORMAN SUSDAT
FDA SRS	M19W98JRAT

Resources

Reference

CAS NUMBER

51479-36-8

NORMAN SUSDAT

FDA SRS

M19W98JRAT

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

2-CHLOROETHYL MYRISTATE

Structure

Physicochemical Descriptors

Cross References