EcoDrugPlus


Keyword(s):	Drinking Water Chemicals ; Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	GX2448V06W

Keyword(s):

Drinking Water Chemicals ; Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

GX2448V06W


InChI Key	None
Smiles	[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-]
InChI	InChI=1/2C10H20O2.Co/c21-5-10(4,9(11)12)7-6-8(2)3;/h28H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2

InChI Key

None

Smiles

[Co+2].CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-]

InChI

InChI=1/2C10H20O2.Co/c2*1-5-10(4,9(11)12)7-6-8(2)3;/h2*8H,5-7H2,1-4H3,(H,11,12);/q;;+2/p-2

Property Name	Value
Molecular Formula	C20H38CoO4
Molecular Weight	401.21
AlogP	3.18
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	10.0
Polar Surface Area	80.26
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H38CoO4

Molecular Weight

401.21

AlogP

3.18

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

10.0

Polar Surface Area

80.26

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	52270-44-7
NORMAN SUSDAT
FDA SRS	GX2448V06W

Resources

Reference

CAS NUMBER

52270-44-7

NORMAN SUSDAT

FDA SRS

GX2448V06W

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

NEODECANOIC ACID, COBALT SALT

Structure

Physicochemical Descriptors

Cross References