Molecule

ID:94066

General Information
Structure
MolImage
Molecular Formula
C₁₇H₃₀FNSn
Molecular Mass
386.1262032
Exact Mass
387.13842219
Charge
0
InChI
InChI=1S/C5H3FN.3C4H9.Sn/c6-5-1-3-7-4-2-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
ANESXSMTSMSYEV-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnccc1F)(CCCC)CCCC
Isomeric Smiles
n1ccc(c(c1)[Sn](CCCC)(CCCC)CCCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8502004
LogD (pH = 7.4)
3.956912
Log P
3.9585
Molar Refractivity
81.9495
Polarizability
36.567776
Polar Surface Area
12.89
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
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References
Bioactivity
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