Molecule

ID:100707

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈F₂O₃
Molecular Mass
214.1655264
Exact Mass
214.04415056
Charge
0
InChI
InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKey
DYIBSNLBZKOXNA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)c1ccc(c(c1)F)F
Isomeric Smiles
Fc1c(cc(cc1)C(=O)C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5119267
LogD (pH = 7.4)
2.5119267
Log P
2.5119267
Molar Refractivity
48.2062
Polarizability
18.064804
Polar Surface Area
43.37
Rotatable Bonds
4
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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