Molecule

ID:13712

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂OSn
Molecular Mass
407.16848
Exact Mass
408.14750964
Charge
0
InChI
InChI=1S/C8H5O.3C4H9.Sn/c1-2-4-8-7(3-1)5-6-9-8;3*1-3-4-2;/h1-5H;3*1,3-4H2,2H3;
InChIKey
QNUISEYPCDPLDS-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cc2c(o1)cccc2)(CCCC)CCCC
Isomeric Smiles
o1c(cc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3524
LogD (pH = 7.4)
5.3524
Log P
5.3524
Molar Refractivity
91.9844
Polarizability
42.079884
Polar Surface Area
13.14
Rotatable Bonds
10
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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