Molecule

ID:13713

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂SSn
Molecular Mass
423.23408
Exact Mass
424.12466602
Charge
0
InChI
InChI=1S/C8H5S.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
UJPVMOUQRNYNSA-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cc2c(s1)cccc2)(CCCC)CCCC
Isomeric Smiles
s1c(cc2c1cccc2)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8012
LogD (pH = 7.4)
5.8012
Log P
5.8012
Molar Refractivity
96.39
Polarizability
43.860374
Polar Surface Area
0.0
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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