Molecule

ID:64259

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀FNSn
Molecular Mass
386.1262032
Exact Mass
387.13842219
Charge
0
InChI
InChI=1S/C5H3FN.3C4H9.Sn/c6-5-2-1-3-7-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;
InChIKey
NXAOTUZKJHXTSD-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ncccc1F)(CCCC)CCCC
Isomeric Smiles
c1([Sn](CCCC)(CCCC)CCCC)ncccc1F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6487894
LogD (pH = 7.4)
4.6569943
Log P
4.6571
Molar Refractivity
82.263
Polarizability
36.56988
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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