Molecule

ID:64157

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₈Cl₂N₂Sn
Molecular Mass
438.01392
Exact Mass
438.06514827
Charge
0
InChI
InChI=1S/C4HCl2N2.3C4H9.Sn/c5-3-1-7-2-4(6)8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKey
IJOQAXKEUUCPAJ-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ncc(nc1Cl)Cl)(CCCC)CCCC
Isomeric Smiles
c1(nc(cnc1[Sn](CCCC)(CCCC)CCCC)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9830985
LogD (pH = 7.4)
4.9831
Log P
4.9831
Molar Refractivity
91.6219
Polarizability
39.992508
Polar Surface Area
25.78
Rotatable Bonds
10
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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