Molecule

ID:136752

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₂HgO₅

Molecular Mass

460.83208

Exact Mass

462.03911648

Charge

0

InChI

InChI=1S/2C7H6O2.Hg.H2O/c2*8-7(9)6-4-2-1-3-5-6;;/h2*1-5H,(H,8,9);;1H2/q;;+2;/p-2

InChIKey

FYZBDVURUZQBKY-UHFFFAOYSA-L

Canonic Smiles

O=C(c1ccccc1)O[Hg]OC(=O)c1ccccc1.O

Isomeric Smiles

c1ccc(cc1)C(=O)O[Hg]OC(=O)c1ccccc1.O

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

3.8474

LogD (pH = 7.4)

3.8474

Log P

3.8474

Molar Refractivity

64.7732

Polarizability

32.273457

Polar Surface Area

52.6

Rotatable Bonds

6

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity