Molecule

ID:59451

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀F₂O
Molecular Mass
148.1505064
Exact Mass
148.06997138
Charge
0
InChI
InChI=1S/C7H10F2O/c8-7(9)3-1-6(5-10)2-4-7/h5-6H,1-4H2
InChIKey
DNSDOTKSZMHDOR-UHFFFAOYSA-N
Canonic Smiles
O=CC1CCC(CC1)(F)F
Isomeric Smiles
C1(CCC(CC1)(F)F)C=O
Calculated Properties
JChem
Acid pKa
17.039917
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2183964
LogD (pH = 7.4)
1.2183964
Log P
1.2183964
Molar Refractivity
33.5163
Polarizability
12.552093
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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