EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	EH7L6J9LHN
EPA CompTox	DTXSID50878372

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

EH7L6J9LHN

EPA CompTox

DTXSID50878372


InChI Key	WFXRJNDIBXZNJK-KVVVOXFISA-N
Smiles	[NH4+].CCCCCCCCC=C/CCCCCCCC(=O)[O-]
InChI	InChI=1/C18H34O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H3

InChI Key

WFXRJNDIBXZNJK-KVVVOXFISA-N

Smiles

[NH4+].CCCCCCCCC=C/CCCCCCCC(=O)[O-]

InChI

InChI=1/C18H34O2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);1H3

Property Name	Value
Molecular Formula	C18H37NO2
Molecular Weight	299.28
AlogP	6.27
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	72.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H37NO2

Molecular Weight

299.28

AlogP

6.27

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

72.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	544-60-5
NORMAN SUSDAT
FDA SRS	EH7L6J9LHN

Resources

Reference

CAS NUMBER

544-60-5

NORMAN SUSDAT

FDA SRS

EH7L6J9LHN

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

AMMONIUM OLEATE

Structure

Physicochemical Descriptors

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