Molecule

ID:64233

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NSSn
Molecular Mass
388.19004
Exact Mass
389.119915
Charge
0
InChI
InChI=1S/C4H4NS.3C4H9.Sn/c1-4-2-6-3-5-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
PZPGNMUMILSRSX-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1scc(n1)C)(CCCC)CCCC
Isomeric Smiles
c1(nc(cs1)C)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5556
LogD (pH = 7.4)
4.561228
Log P
4.5613
Molar Refractivity
83.1632
Polarizability
37.322792
Polar Surface Area
12.89
Rotatable Bonds
10
Lipinski's Rule of Five
true
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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