Molecule

ID:65046

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₁F₃N₂Sn
Molecular Mass
439.1376496
Exact Mass
440.14612766
Charge
0
InChI
InChI=1S/C5H4F3N2.3C4H9.Sn/c1-10-3-2-4(9-10)5(6,7)8;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
InChIKey
KZKSCFOBDCKLCL-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cc(nn1C)C(F)(F)F)(CCCC)CCCC
Isomeric Smiles
n1(c(cc(n1)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.629398
LogD (pH = 7.4)
4.6294
Log P
4.6294
Molar Refractivity
97.6484
Polarizability
37.602978
Polar Surface Area
17.82
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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