Molecule

ID:136754

General Information

Structure

MolImage

Molecular Formula

C₁₄H₁₀O₆Pb

Molecular Mass

481.4256

Exact Mass

482.02439004

Charge

0

InChI

InChI=1S/2C7H6O3.Pb/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2

InChIKey

CNVULGHYDPMIHD-UHFFFAOYSA-L

Canonic Smiles

O=C(c1ccccc1O)O[Pb]OC(=O)c1ccccc1O

Isomeric Smiles

c1ccc(c(c1)C(=O)O[Pb]OC(=O)c1ccccc1O)O

Calculated Properties

JChem

Acid pKa

9.503643

H Acceptors

4

H Donor

2

LogD (pH = 5.5)

5.308557

LogD (pH = 7.4)

5.305195

Log P

5.3086

Molar Refractivity

68.735

Polarizability

33.87166

Polar Surface Area

93.06

Rotatable Bonds

6

Lipinski's Rule of Five

false

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