Molecule
ID:95100
General Information
Molecular Formula
C₉H₉F₉O₂
Molecular Mass
320.1521888
Exact Mass
320.04588351
Charge
0
InChI
InChI=1S/C9H9F9O2/c1-4(2)3-5(19)20-6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3
InChIKey
KHKVAWKFDWEPTR-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)C
Isomeric Smiles
O(C(=O)CC(C)C)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2034965
LogD (pH = 7.4)
4.2034965
Log P
4.2034965
Molar Refractivity
47.0994
Polarizability
17.645428
Polar Surface Area
26.3
Rotatable Bonds
7
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
No Data Available
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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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