Molecule

ID:112245

General Information

Structure

MolImage

Molecular Formula

C₂₀H₁₈O₂Pb

Molecular Mass

497.55572

Exact Mass

498.10733182

Charge

0

InChI

InChI=1S/3C6H5.C2H4O2.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1

InChIKey

UXLLXTLQVAJJIB-UHFFFAOYSA-M

Canonic Smiles

CC(=O)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1

Isomeric Smiles

CC(=O)O[Pb](c1ccccc1)(c1ccccc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

4.7799

LogD (pH = 7.4)

4.7799

Log P

4.7799

Molar Refractivity

88.139

Polarizability

41.57055

Polar Surface Area

26.3

Rotatable Bonds

5

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