Molecule

ID:64468

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉F₂NSn
Molecular Mass
404.1166664
Exact Mass
405.12900037
Charge
0
InChI
InChI=1S/C5H2F2N.3C4H9.Sn/c6-4-1-5(7)3-8-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKey
CFYNUOUCHUGXFE-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ncc(cc1F)F)(CCCC)CCCC
Isomeric Smiles
c1(ncc(cc1F)F)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.796573
LogD (pH = 7.4)
4.7966
Log P
4.7966
Molar Refractivity
82.4794
Polarizability
36.34398
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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