Molecule

ID:26060

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁F₃O₂
Molecular Mass
280.2418496
Exact Mass
280.07111425
Charge
0
InChI
InChI=1S/C15H11F3O2/c16-15(17,18)13-3-1-2-12(8-13)10-20-14-6-4-11(9-19)5-7-14/h1-9H,10H2
InChIKey
HKIMSLVODPOIOC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)OCc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(c1cc(COc2ccc(C=O)cc2)ccc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1303983
LogD (pH = 7.4)
4.1303983
Log P
4.1303983
Molar Refractivity
69.6915
Polarizability
25.381952
Polar Surface Area
26.3
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
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References
Bioactivity
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