Molecule
ID:11926
General Information
Molecular Formula
C₁₁H₇F₅O₃
Molecular Mass
282.163496
Exact Mass
282.03153518
Charge
0
InChI
InChI=1S/C11H7F5O3/c1-2-19-5(18)3-4(17)6-7(12)9(14)11(16)10(15)8(6)13/h2-3H2,1H3
InChIKey
SFYYMUUQGSQVFT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(=O)c1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
C(=O)(CC(=O)OCC)c1c(F)c(F)c(c(c1F)F)F
Calculated Properties
JChem
Acid pKa
5.428784
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.301572
LogD (pH = 7.4)
0.689319
Log P
2.6393335
Molar Refractivity
53.4046
Polarizability
19.573898
Polar Surface Area
43.37
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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