Molecule

ID:111309

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₄Sn
Molecular Mass
405.108
Exact Mass
406.11660344
Charge
0
InChI
InChI=1S/2C8H16O2.Sn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
InChIKey
JQZRVMZHTADUSY-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Sn+2]
Isomeric Smiles
[Sn+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
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Molecule Details
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References
Bioactivity
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