EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3SKM8IU1K6
EPA CompTox	DTXSID601288093

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3SKM8IU1K6

EPA CompTox

DTXSID601288093


InChI Key	JSTPSGWLEIBYPU-UHFFFAOYSA-N
Smiles	[OH-].CC(O)C[Hg+]
InChI	InChI=1S/C3H7O.Hg/c1-3(2)4;/h3-4H,1H2,2H3;/q;+1

InChI Key

JSTPSGWLEIBYPU-UHFFFAOYSA-N

Smiles

[OH-].CC(O)C[Hg+]

InChI

InChI=1S/C3H7O.Hg/c1-3(2)4;/h3-4H,1H2,2H3;/q;+1

Property Name	Value
Molecular Formula	C3H7Hg1O1
Molecular Weight	261.02
AlogP	0.2
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	20.23
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H7Hg1O1

Molecular Weight

261.02

AlogP

0.2

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

20.23

Heavy Atoms

5.0

Resources	Reference
CAS NUMBER	5579-94-2
NORMAN SUSDAT
FDA SRS	3SKM8IU1K6

Resources

Reference

CAS NUMBER

5579-94-2

NORMAN SUSDAT

FDA SRS

3SKM8IU1K6

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MERISOPROL (197 HG)

Structure

Physicochemical Descriptors

Cross References