Molecule
ID:99711
General Information
Molecular Formula
C₁₆H₂₈F₁₂O₄Si₄
Molecular Mass
624.7139584
Exact Mass
624.08730414
Charge
0
InChI
InChI=1S/C16H28F12O4Si4/c1-33(9-5-13(17,18)19)29-34(2,10-6-14(20,21)22)31-36(4,12-8-16(26,27)28)32-35(3,30-33)11-7-15(23,24)25/h5-12H2,1-4H3
InChIKey
XOVNCWWRDSAYNE-UHFFFAOYSA-N
Canonic Smiles
FC(CC[Si]1(C)O[Si](C)(CCC(F)(F)F)O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)(F)F
Isomeric Smiles
[Si]1(O[Si](C)(CCC(F)(F)F)O[Si](CCC(F)(F)F)(C)O[Si](O1)(CCC(F)(F)F)C)(CCC(F)(F)F)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.8932
LogD (pH = 7.4)
5.8932
Log P
5.8932
Molar Refractivity
92.242
Polarizability
42.73881
Polar Surface Area
36.92
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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