Molecule

ID:97660

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₂O₃
Molecular Mass
228.1921064
Exact Mass
228.05980062
Charge
0
InChI
InChI=1S/C11H10F2O3/c1-16-8-4-2-7(3-5-8)9(14)6-10(15)11(12)13/h2-5,11H,6H2,1H3
InChIKey
IHLFDMHYDXVXHM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)CC(=O)C(F)F
Isomeric Smiles
O(c1ccc(cc1)C(=O)CC(=O)C(F)F)C
Calculated Properties
JChem
Acid pKa
5.1560225
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5041575
LogD (pH = 7.4)
-0.18950762
Log P
2.00975
Molar Refractivity
52.958
Polarizability
19.923351
Polar Surface Area
43.37
Rotatable Bonds
5
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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