Molecule
ID:97429
General Information
Molecular Formula
C₅F₁₁IO
Molecular Mass
411.9398052
Exact Mass
411.88182304
Charge
0
InChI
InChI=1S/C5F11IO/c6-1(7,2(8,9)10)4(14,15)18-5(16,17)3(11,12)13
InChIKey
WXGLHUFWWLOFCN-UHFFFAOYSA-N
Canonic Smiles
FC(C(OC(C(C(F)(F)F)(F)F)(F)F)(I)F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)(I)F)C(C(F)(F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.872
LogD (pH = 7.4)
4.872
Log P
4.872
Molar Refractivity
42.6592
Polarizability
16.712498
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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