Molecule
ID:99244
General Information
Molecular Formula
C₈H₇F₁₁O₂
Molecular Mass
344.1224152
Exact Mass
344.02703988
Charge
0
InChI
InChI=1S/C8H7F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
InChIKey
UDRGWQXICZMATL-UHFFFAOYSA-N
Canonic Smiles
OCCCC(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)(CCCO)F
Calculated Properties
JChem
Acid pKa
15.964188
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.872456
LogD (pH = 7.4)
3.872456
Log P
3.872456
Molar Refractivity
44.8151
Polarizability
16.702381
Polar Surface Area
29.46
Rotatable Bonds
8
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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