Molecule

ID:94676

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃F₃O₂
Molecular Mass
282.2577296
Exact Mass
282.08676432
Charge
0
InChI
InChI=1S/C15H13F3O2/c16-15(17,18)11-20-14-8-6-13(7-9-14)19-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
ZDJCEZWOTFPSHI-UHFFFAOYSA-N
Canonic Smiles
FC(COc1ccc(cc1)OCc1ccccc1)(F)F
Isomeric Smiles
O(c1ccc(cc1)OCc1ccccc1)CC(F)(F)F
Calculated Properties
JChem
Acid pKa
19.858774
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3374724
LogD (pH = 7.4)
4.3374724
Log P
4.3374724
Molar Refractivity
69.0471
Polarizability
26.003994
Polar Surface Area
18.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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