Molecule
ID:100889
General Information
Molecular Formula
C₆F₁₂O
Molecular Mass
316.0444384
Exact Mass
315.97575326
Charge
0
InChI
InChI=1S/C6F12O/c7-1(19)2(8,9)3(10,11)4(12,13)5(14,15)6(16,17)18
InChIKey
XATLHBQMSOZWBO-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(F)C(F)(F)C(F)(F)C(=O)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9572942
LogD (pH = 7.4)
3.9572942
Log P
3.9572942
Molar Refractivity
31.5494
Polarizability
12.411327
Polar Surface Area
17.07
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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