Molecule

ID:106974

General Information
Structure
Molecular Formula
C₂₄H₄₈O₄Sn
Molecular Mass
519.33652
Exact Mass
520.25745402
Charge
0
InChI
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
GPDWNEFHGANACG-UHFFFAOYSA-L
Canonic Smiles
CCCC[Sn](OC(=O)C(CCCC)CC)(OC(=O)C(CCCC)CC)CCCC
Isomeric Smiles
CCCCC(CC)C(=O)O[Sn](CCCC)(CCCC)OC(=O)C(CC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.1356
LogD (pH = 7.4)
6.1356
Log P
6.1356
Molar Refractivity
118.1156
Polarizability
51.83199
Polar Surface Area
52.6
Rotatable Bonds
20
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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