Molecule

ID:108001

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₆O₄Pb

Molecular Mass

407.43164

Exact Mass

408.08151099

Charge

0

InChI

InChI=1S/C10H18O4.Pb/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;/h1-8H2,(H,11,12)(H,13,14);/q;+2/p-2

InChIKey

QCWKNPBWGUZSTH-UHFFFAOYSA-L

Canonic Smiles

[O-]C(=O)CCCCCCCCC(=O)[O-].[Pb+2]

Isomeric Smiles

[Pb+2].[O-]C(=O)CCCCCCCCC(=O)[O-]

Calculated Properties

JChem

Acid pKa

4.720087

H Acceptors

4

H Donor

0

LogD (pH = 5.5)

1.0629376

LogD (pH = 7.4)

-2.4331248

Log P

2.268929

Molar Refractivity

72.8172

Polarizability

20.010502

Polar Surface Area

80.26

Rotatable Bonds

9

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