Molecule

ID:110482

General Information
Structure
Molecular Formula
C₁₆H₃₀O₄Pb
Molecular Mass
493.607
Exact Mass
494.19106144
Charge
0
InChI
InChI=1S/2C8H16O2.Pb/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
InChIKey
YMQPOZUUTMLSEK-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Pb+2]
Isomeric Smiles
[Pb+2].CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
5.192975
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2191668
LogD (pH = 7.4)
0.510514
Log P
2.7000334
Molar Refractivity
51.1127
Polarizability
15.86637
Polar Surface Area
40.13
Rotatable Bonds
12
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
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