Molecule

ID:112332

General Information
Structure
MolImage
Molecular Formula
C₂₆H₅₂O₄Sn
Molecular Mass
547.38968
Exact Mass
548.28875414
Charge
0
InChI
InChI=1S/2C12H24O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);2*1H3;/q;;;;+2/p-2
InChIKey
LYYNQLKRDKNQMN-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCCCCCC(=O)O[Sn](OC(=O)CCCCCCCCCCC)(C)C
Isomeric Smiles
CCCCCCCCCCCC(=O)O[Sn](C)(C)OC(=O)CCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4298
LogD (pH = 7.4)
6.4298
Log P
6.4298
Molar Refractivity
127.3954
Polarizability
55.49469
Polar Surface Area
52.6
Rotatable Bonds
24
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
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