Molecule

ID:64220

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₃NSSn
Molecular Mass
414.22732
Exact Mass
415.13556506
Charge
0
InChI
InChI=1S/C6H6NS.3C4H9.Sn/c1-8-6-4-2-3-5-7-6;3*1-3-4-2;/h2,4-5H,1H3;3*1,3-4H2,2H3;
InChIKey
IHXKWCSTEAWEQY-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(nc1)SC)(CCCC)CCCC
Isomeric Smiles
n1c(SC)ccc([Sn](CCCC)(CCCC)CCCC)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1644125
LogD (pH = 7.4)
5.172792
Log P
5.1729
Molar Refractivity
94.8055
Polarizability
41.73342
Polar Surface Area
12.89
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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