EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	O38QT2542V
EPA CompTox	DTXSID1042318

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

O38QT2542V

EPA CompTox

DTXSID1042318


InChI Key	PYJBVGYZXWPIKK-UHFFFAOYSA-M
Smiles	[K+].CCCCCCCCCCCCCC(=O)[O-]
InChI	InChI=1/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1

InChI Key

PYJBVGYZXWPIKK-UHFFFAOYSA-M

Smiles

[K+].CCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1/C14H28O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);/q;+1/p-1

Property Name	Value
Molecular Formula	C14H27KO2
Molecular Weight	266.16
AlogP	0.44
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	12.0
Polar Surface Area	40.13
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H27KO2

Molecular Weight

266.16

AlogP

0.44

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

12.0

Polar Surface Area

40.13

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	13429-27-1
NORMAN SUSDAT
FDA SRS	O38QT2542V

Resources

Reference

CAS NUMBER

13429-27-1

NORMAN SUSDAT

FDA SRS

O38QT2542V

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

POTASSIUM MYRISTATE

Structure

Physicochemical Descriptors

Cross References