Molecule

ID:2692

General Information

Structure

MolImage

Molecular Formula

C₆H₅HgO₃S

Molecular Mass

357.7571

Exact Mass

358.96658302

Charge

0

InChI

InChI=1S/C6H5O3S.Hg/c7-10(8,9)6-4-2-1-3-5-6;/h2-5H,(H,7,8,9);

InChIKey

KQAOIKIZSJJTII-UHFFFAOYSA-N

Canonic Smiles

[Hg]c1ccc(cc1)S(=O)(=O)O

Isomeric Smiles

OS(=O)(=O)c1ccc([Hg])cc1

Calculated Properties

JChem

Acid pKa

-2.4758604

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.5597992

LogD (pH = 7.4)

-2.5598

Log P

-0.296

Molar Refractivity

36.0968

Polarizability

22.145048

Polar Surface Area

54.37

Rotatable Bonds

1

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

-1.11

LOG S

-1.57

Solubility (Water)

9.70e+00 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity