Molecule

ID:77665

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀O₂Sn
Molecular Mass
385.1199
Exact Mass
386.1267742
Charge
0
InChI
InChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
UPDSERLEJJWQET-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1occ(c1)C=O)(CCCC)CCCC
Isomeric Smiles
[Sn](c1cc(co1)C=O)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9333
LogD (pH = 7.4)
3.9333
Log P
3.9333
Molar Refractivity
82.2407
Polarizability
36.57994
Polar Surface Area
30.21
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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