Molecule

ID:8626

General Information
Structure
MolImage
Molecular Formula
C₅H₉FO₂
Molecular Mass
120.1221632
Exact Mass
120.05865775
Charge
0
InChI
InChI=1S/C5H9FO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChIKey
ODMITNOQNBVSQG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(F)C
Isomeric Smiles
O=C(OCC)C(C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9219643
LogD (pH = 7.4)
0.9219643
Log P
0.9219643
Molar Refractivity
26.6654
Polarizability
10.534811
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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