Molecule

ID:89605

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₆O₂Sn
Molecular Mass
439.21034
Exact Mass
440.17372439
Charge
0
InChI
InChI=1S/C9H9O2.3C4H9.Sn/c1-2-4-8(5-3-1)9-10-6-7-11-9;3*1-3-4-2;/h1-4,9H,6-7H2;3*1,3-4H2,2H3;
InChIKey
JPWMKBGFAPHRLW-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccccc1C1OCCO1)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccccc1C1OCCO1)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8689
LogD (pH = 7.4)
4.8689
Log P
4.8689
Molar Refractivity
99.2692
Polarizability
43.922867
Polar Surface Area
18.46
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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