Molecule

ID:1446

General Information

Structure

MolImage

Molecular Formula

C₇H₆HgO₃

Molecular Mass

338.71074

Exact Mass

340.00233705

Charge

0

InChI

InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1

InChIKey

WMHRYLDWLOGHSG-UHFFFAOYSA-M

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

3.8617046

H Acceptors

3

H Donor

2

LogD (pH = 5.5)

-1.7623521

LogD (pH = 7.4)

-3.421009

Log P

-0.1181

Molar Refractivity

35.2951

Polarizability

20.828798

Polar Surface Area

57.53

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

0.43

LOG S

-0.81

Solubility (Water)

5.22e+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