Molecule

ID:64362

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉F₃N₂Sn
Molecular Mass
425.1110696
Exact Mass
426.1304776
Charge
0
InChI
InChI=1S/C4H2F3N2.3C4H9.Sn/c5-4(6,7)3-1-8-9-2-3;3*1-3-4-2;/h1H,(H,8,9);3*1,3-4H2,2H3;
InChIKey
ZIDKUDVVIPYIIF-UHFFFAOYSA-N
Canonic Smiles
CCCC[Sn](c1[nH]ncc1C(F)(F)F)(CCCC)CCCC
Isomeric Smiles
c1(c([nH]nc1)[Sn](CCCC)(CCCC)CCCC)C(F)(F)F
Calculated Properties
JChem
Acid pKa
13.865624
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2837653
LogD (pH = 7.4)
4.2837996
Log P
4.2838
Molar Refractivity
82.8044
Polarizability
35.866623
Polar Surface Area
28.68
Rotatable Bonds
11
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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