Molecule

ID:65194

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₆F₂O₃Sn
Molecular Mass
457.1744464
Exact Mass
458.16544545
Charge
0
InChI
InChI=1S/C6H9F2O3.3C4H9.Sn/c1-9-2-3-10-5-11-4-6(7)8;3*1-3-4-2;/h2-3,5H2,1H3;3*1,3-4H2,2H3;
InChIKey
MBPNENOKZRGFAZ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](C(=C(F)F)OCOCCOC)(CCCC)CCCC
Isomeric Smiles
C(=C([Sn](CCCC)(CCCC)CCCC)OCOCCOC)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.3777
LogD (pH = 7.4)
7.3777
Log P
7.3777
Molar Refractivity
111.8604
Polarizability
40.726955
Polar Surface Area
27.69
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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