Molecule
ID:97596
General Information
Molecular Formula
C₆F₁₀O
Molecular Mass
278.047632
Exact Mass
277.97894682
Charge
0
InChI
InChI=1S/C6F10O/c7-1(3(9)17)2(8)4(10,5(11,12)13)6(14,15)16
InChIKey
ZDDYAQBRMKIGMY-UHFFFAOYSA-N
Canonic Smiles
FC(=O)/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/F
Isomeric Smiles
FC(C(C(F)(F)F)(F)/C(=C(/C(=O)F)\F)/F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3724015
LogD (pH = 7.4)
2.3724015
Log P
2.3724015
Molar Refractivity
33.0617
Polarizability
11.814721
Polar Surface Area
17.07
Rotatable Bonds
4
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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