Molecule
ID:6503
General Information
Molecular Formula
C₇H₅F₉O
Molecular Mass
276.0996288
Exact Mass
276.01966876
Charge
0
InChI
InChI=1S/C7H5F9O/c1-3(17)2-4(8,6(11,12)13)5(9,10)7(14,15)16/h2H2,1H3
InChIKey
OFLVBGFDFOVPBE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
O=C(CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F)C
Calculated Properties
JChem
Acid pKa
5.5675616
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7431889
LogD (pH = 7.4)
1.191635
Log P
3.0115073
Molar Refractivity
36.0323
Polarizability
13.504413
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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