Molecule

ID:64844

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂FNSn
Molecular Mass
400.1527832
Exact Mass
401.15407225
Charge
0
InChI
InChI=1S/C6H5FN.3C4H9.Sn/c1-5-2-3-8-6(7)4-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChIKey
CJJQSWYAAIGFPO-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1cnc(cc1C)F)(CCCC)CCCC
Isomeric Smiles
c1c(ncc(c1C)[Sn](CCCC)(CCCC)CCCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.882898
LogD (pH = 7.4)
4.8828998
Log P
4.8829
Molar Refractivity
88.0054
Polarizability
38.321724
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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