Molecule

ID:64487

General Information
Structure
Molecular Formula
C₁₈H₃₀F₃NSn
Molecular Mass
436.1337096
Exact Mass
437.13522863
Charge
0
InChI
InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-3-1-2-4-10-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3;
InChIKey
YHSXJEYVXPPZAC-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(nc1)C(F)(F)F)(CCCC)CCCC
Isomeric Smiles
C(c1ncc([Sn](CCCC)(CCCC)CCCC)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1008224
LogD (pH = 7.4)
5.100899
Log P
5.1009
Molar Refractivity
87.3348
Polarizability
38.04914
Polar Surface Area
12.89
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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