Molecule
ID:99021
General Information
Molecular Formula
C₁₁H₁₁F₁₁O
Molecular Mass
368.1868752
Exact Mass
368.06342539
Charge
0
InChI
InChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3
InChIKey
VTQJUMDFJZMYAO-UHFFFAOYSA-N
Canonic Smiles
CCCC/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(/C=C/CCCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.665528
LogD (pH = 7.4)
6.665528
Log P
6.665528
Molar Refractivity
57.5416
Polarizability
20.621723
Polar Surface Area
9.23
Rotatable Bonds
9
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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