Molecule

ID:65126

General Information
Structure
MolImage
Molecular Formula
C₁₆H₃₁NS₂Sn
Molecular Mass
420.25504
Exact Mass
421.091986
Charge
0
InChI
InChI=1S/C4H4NS2.3C4H9.Sn/c1-6-4-5-2-3-7-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
DEJBNAXALAZNEF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(s1)SC)(CCCC)CCCC
Isomeric Smiles
s1c(cnc1SC)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9703374
LogD (pH = 7.4)
4.970498
Log P
4.9705
Molar Refractivity
90.4905
Polarizability
40.482395
Polar Surface Area
12.89
Rotatable Bonds
11
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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