Molecule

ID:41773

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅FO₂
Molecular Mass
258.2875032
Exact Mass
258.10560794
Charge
0
InChI
InChI=1S/C16H15FO2/c1-11-4-3-5-13(8-11)10-19-16-7-6-14(12(2)18)9-15(16)17/h3-9H,10H2,1-2H3
InChIKey
DFDNXELRJRJYBA-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)COc1ccc(cc1F)C(=O)C
Isomeric Smiles
c1(cc(c(OCc2cc(ccc2)C)cc1)F)C(=O)C
Calculated Properties
JChem
Acid pKa
16.051708
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7538185
LogD (pH = 7.4)
3.7538185
Log P
3.7538185
Molar Refractivity
72.7942
Polarizability
27.58374
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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