Molecule
ID:65114
General Information
Molecular Formula
C₅H₇FO₂
Molecular Mass
118.1062832
Exact Mass
118.04300768
Charge
0
InChI
InChI=1S/C5H7FO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChIKey
QORMSHMHGGKSSD-UHFFFAOYSA-N
Canonic Smiles
O=C1CCOCC1F
Isomeric Smiles
C1(COCCC1=O)F
Calculated Properties
JChem
Acid pKa
14.965621
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28344607
LogD (pH = 7.4)
0.28344607
Log P
0.28344607
Molar Refractivity
25.134
Polarizability
9.848055
Polar Surface Area
26.3
Rotatable Bonds
0
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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