Molecule

ID:3605

General Information

Structure

MolImage

Molecular Formula

C₇H₅HgO₂

Molecular Mass

321.7034

Exact Mass

322.9995974

Charge

0

InChI

InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);

InChIKey

FVFZSVRSDNUCGG-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

4.0240636

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.0694151

LogD (pH = 7.4)

-2.783269

Log P

0.4181

Molar Refractivity

32.7305

Polarizability

19.75543

Polar Surface Area

37.3

Rotatable Bonds

1

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.56

LOG S

-0.83

Solubility (Water)

4.77e+01 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