Molecule

ID:64146

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₂N₂SSn
Molecular Mass
415.21538
Exact Mass
416.13081403
Charge
0
InChI
InChI=1S/C5H5N2S.3C4H9.Sn/c1-8-5-6-3-2-4-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKey
XLWUNYIXRVXVMN-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(nc1)SC)(CCCC)CCCC
Isomeric Smiles
c1(ncc([Sn](CCCC)(CCCC)CCCC)cn1)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3331075
LogD (pH = 7.4)
4.3332977
Log P
4.3333
Molar Refractivity
93.2592
Polarizability
40.88876
Polar Surface Area
25.78
Rotatable Bonds
11
Lipinski's Rule of Five
true
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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