Molecule

ID:41228

General Information
Structure
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c1-11(17)13-7-8-15(14(16)9-13)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
YLVZBSLWHNSLNP-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1OCc1ccccc1)C(=O)C
Isomeric Smiles
c1(cc(c(OCc2ccccc2)cc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
16.051708
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2403972
LogD (pH = 7.4)
3.2403972
Log P
3.2403972
Molar Refractivity
67.753
Polarizability
25.820818
Polar Surface Area
26.3
Rotatable Bonds
4
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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