Molecule

ID:64149

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₃NOSSn
Molecular Mass
418.21602
Exact Mass
419.13047968
Charge
0
InChI
InChI=1S/C5H6NOS.3C4H9.Sn/c1-2-7-5-6-3-4-8-5;3*1-3-4-2;/h4H,2H2,1H3;3*1,3-4H2,2H3;
InChIKey
NBICALVSSSYBKT-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1csc(n1)OCC)(CCCC)CCCC
Isomeric Smiles
n1c(csc1OCC)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.179075
LogD (pH = 7.4)
5.1790996
Log P
5.1791
Molar Refractivity
90.097
Polarizability
39.969646
Polar Surface Area
22.12
Rotatable Bonds
12
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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