Molecule

ID:7255

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉F₁₇O₃Si
Molecular Mass
610.3786144
Exact Mass
610.08320074
Charge
0
InChI
InChI=1S/C16H19F17O3Si/c1-4-34-37(35-5-2,36-6-3)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h4-8H2,1-3H3
InChIKey
MLXDKRSDUJLNAB-UHFFFAOYSA-N
Canonic Smiles
CCO[Si](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC)OCC
Isomeric Smiles
C(C(C(C(C(C(C(CC[Si](OCC)(OCC)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
8.6875
LogD (pH = 7.4)
8.6875
Log P
8.6875
Molar Refractivity
83.4135
Polarizability
34.246365
Polar Surface Area
27.69
Rotatable Bonds
16
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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