Molecule

ID:89599

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₆O₂Sn
Molecular Mass
439.21034
Exact Mass
440.17372439
Charge
0
InChI
InChI=1S/C9H9O2.3C4H9.Sn/c1-2-11-9(10)8-6-4-3-5-7-8;3*1-3-4-2;/h4-7H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey
QPRJKHORUOULRT-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cc1)C(=O)OCC)(CCCC)CCCC
Isomeric Smiles
[Sn](c1ccc(cc1)C(=O)OCC)(CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.621
LogD (pH = 7.4)
5.621
Log P
5.621
Molar Refractivity
100.6639
Polarizability
44.009487
Polar Surface Area
26.3
Rotatable Bonds
13
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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