Molecule

ID:97809

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₀F₃NSn
Molecular Mass
436.1337096
Exact Mass
437.13522863
Charge
0
InChI
InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-2-1-3-10-4-5;3*1-3-4-2;/h1-2,4H;3*1,3-4H2,2H3;
InChIKey
QPRVUMOOSDCPRY-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1ccc(cn1)C(F)(F)F)(CCCC)CCCC
Isomeric Smiles
n1c(ccc(c1)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2195606
LogD (pH = 7.4)
5.397563
Log P
5.4004
Molar Refractivity
88.0203
Polarizability
38.046154
Polar Surface Area
12.89
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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