EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	5RZJ5HAM62

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

5RZJ5HAM62


InChI Key	YQRBOMYQIMHOLM-UHFFFAOYSA-M
Smiles	Oc1ccccc1C(=O)[O-].[Hg+]c2ccccc2
InChI	InChI=1/C7H6O3.C6H5.Hg/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);1-5H;/q;;+1/p-1/rC7H6O3.C6H5Hg/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H/q;+1/p-1

InChI Key

YQRBOMYQIMHOLM-UHFFFAOYSA-M

Smiles

Oc1ccccc1C(=O)[O-].[Hg+]c2ccccc2

InChI

InChI=1/C7H6O3.C6H5.Hg/c8-6-4-2-1-3-5(6)7(9)10;1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);1-5H;/q;;+1/p-1/rC7H6O3.C6H5Hg/c8-6-4-2-1-3-5(6)7(9)10;7-6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H/q;+1/p-1

Property Name	Value
Molecular Formula	C13H10HgO3
Molecular Weight	416.03
AlogP	1.32
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	60.36
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H10HgO3

Molecular Weight

416.03

AlogP

1.32

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

60.36

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	28086-13-7
NORMAN SUSDAT
FDA SRS	5RZJ5HAM62

Resources

Reference

CAS NUMBER

28086-13-7

NORMAN SUSDAT

FDA SRS

5RZJ5HAM62

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

PHENYLMERCURY SALICYLATE

Structure

Physicochemical Descriptors

Cross References