EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Free-form
UNII	0JN7MT02WQ

Keyword(s):

Food Contact Chemicals

Molecule Category

Free-form

UNII

0JN7MT02WQ


InChI Key	SGLXWMAOOWXVAM-UHFFFAOYSA-L
Smiles	CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mn+2]
InChI	InChI=1S/2C8H16O2.Mn/c21-2-3-4-5-6-7-8(9)10;/h22-7H2,1H3,(H,9,10);/q;;+2/p-2

InChI Key

SGLXWMAOOWXVAM-UHFFFAOYSA-L

Smiles

CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Mn+2]

InChI

InChI=1S/2C8H16O2.Mn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2

Property Name	Value
Molecular Formula	C16H30MnO4
Molecular Weight	341.15
AlogP	2.19
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	12.0
Polar Surface Area	80.26
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H30MnO4

Molecular Weight

341.15

AlogP

2.19

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

12.0

Polar Surface Area

80.26

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	6819-13-2
NORMAN SUSDAT
FDA SRS	0JN7MT02WQ
PubChem	160854

Resources

Reference

CAS NUMBER

6819-13-2

NORMAN SUSDAT

FDA SRS

0JN7MT02WQ

PubChem

160854

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

MANGANESE OCTANOATE

Structure

Physicochemical Descriptors

Cross References