Molecule

ID:65039

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₀O₂Sn
Molecular Mass
373.1092
Exact Mass
374.1267742
Charge
0
InChI
InChI=1S/C4H3O2.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3;
InChIKey
SFOGKNHRVGTLCF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](C1=CC(=O)OC1)(CCCC)CCCC
Isomeric Smiles
C1(=CC(=O)OC1)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
7.728418
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.321444
LogD (pH = 7.4)
6.157095
Log P
6.324
Molar Refractivity
78.9908
Polarizability
35.3805
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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