EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	74WHF607EU
EPA CompTox	DTXSID0025949

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

74WHF607EU

EPA CompTox

DTXSID0025949


InChI Key	MLICVSDCCDDWMD-KVVVOXFISA-M
Smiles	[K+].CCCCCCCCC=C/CCCCCCCC(=O)[O-]
InChI	InChI=1/C18H34O2.K/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);/q;+1/p-1

InChI Key

MLICVSDCCDDWMD-KVVVOXFISA-M

Smiles

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

InChI

InChI=1/C18H34O2.K/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);/q;+1/p-1

Property Name	Value
Molecular Formula	C18H33KO2
Molecular Weight	320.21
AlogP	1.78
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	40.13
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H33KO2

Molecular Weight

320.21

AlogP

1.78

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

40.13

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	143-18-0
NORMAN SUSDAT
FDA SRS	74WHF607EU

Resources

Reference

CAS NUMBER

143-18-0

NORMAN SUSDAT

FDA SRS

74WHF607EU

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

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