Molecule

ID:71363

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂F₂O₃
Molecular Mass
206.1865864
Exact Mass
206.07545068
Charge
0
InChI
InChI=1S/C9H12F2O3/c1-2-14-8(13)6-5-9(10,11)4-3-7(6)12/h6H,2-5H2,1H3
InChIKey
IYUYMCKYKODONH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC(F)(F)CCC1=O
Isomeric Smiles
C1(C(=O)CCC(C1)(F)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
7.862862
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4439005
LogD (pH = 7.4)
1.3184059
Log P
1.2124313
Molar Refractivity
44.6526
Polarizability
17.121962
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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