Molecule

ID:99778

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈F₄O₃
Molecular Mass
264.1730328
Exact Mass
264.040957
Charge
0
InChI
InChI=1S/C11H8F4O3/c1-2-18-8(17)4-7(16)5-3-6(12)10(14)11(15)9(5)13/h3H,2,4H2,1H3
InChIKey
KWDVJYLIAJHEOW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1cc(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(cc(c(c1F)F)F)C(=O)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
8.933793
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4964716
LogD (pH = 7.4)
2.4841168
Log P
2.4966316
Molar Refractivity
53.1882
Polarizability
19.631514
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
No Data Available
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Molecule Details
References
Bioactivity
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