Molecule

ID:63549

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀F₂O₄
Molecular Mass
196.1487064
Exact Mass
196.05471524
Charge
0
InChI
InChI=1S/C7H10F2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChIKey
WCRVWLHTROHXBB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)(F)F
Isomeric Smiles
C(F)(F)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4422952
LogD (pH = 7.4)
1.4422952
Log P
1.4422952
Molar Refractivity
38.142
Polarizability
15.030493
Polar Surface Area
52.6
Rotatable Bonds
6
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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