EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	LS4R39JWSR
EPA CompTox	DTXSID4058314

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

LS4R39JWSR

EPA CompTox

DTXSID4058314


InChI Key	AGJBKFAPBKOEGA-UHFFFAOYSA-M
Smiles	COCC[Hg+].CC(=O)[O-]
InChI	InChI=1/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1/rC3H7HgO.C2H4O2/c1-5-3-2-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)/q+1;/p-1

InChI Key

AGJBKFAPBKOEGA-UHFFFAOYSA-M

Smiles

COCC[Hg+].CC(=O)[O-]

InChI

InChI=1/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1/rC3H7HgO.C2H4O2/c1-5-3-2-4;1-2(3)4/h2-3H2,1H3;1H3,(H,3,4)/q+1;/p-1

Property Name	Value
Molecular Formula	C5H10HgO3
Molecular Weight	320.03
AlogP	-0.65
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	49.36
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C5H10HgO3

Molecular Weight

320.03

AlogP

-0.65

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

49.36

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	151-38-2
NORMAN SUSDAT
FDA SRS	LS4R39JWSR

Resources

Reference

CAS NUMBER

151-38-2

NORMAN SUSDAT

FDA SRS

LS4R39JWSR

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

2-METHOXYETHYLMERCURY ACETATE

Structure

Physicochemical Descriptors

Cross References