EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	K146MR5EXO
EPA CompTox	DTXSID9044453

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

K146MR5EXO

EPA CompTox

DTXSID9044453


InChI Key	BTURAGWYSMTVOW-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCCCCC([O-])=O
InChI	InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1

InChI Key

BTURAGWYSMTVOW-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCCCCCCC([O-])=O

InChI

InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1

Property Name	Value
Molecular Formula	C12H23NaO2
Molecular Weight	222.16
AlogP	-0.34
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	10.0
Polar Surface Area	40.13
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H23NaO2

Molecular Weight

222.16

AlogP

-0.34

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

10.0

Polar Surface Area

40.13

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	629-25-4
NORMAN SUSDAT
FDA SRS	K146MR5EXO

Resources

Reference

CAS NUMBER

629-25-4

NORMAN SUSDAT

FDA SRS

K146MR5EXO

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

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