Molecule

ID:11652

General Information
Structure
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c16-13-8-6-11(7-9-13)10-14(15(17)18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,17,18)
InChIKey
LVJVEADPGHXUKQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccccc1)Cc1ccc(cc1)F
Isomeric Smiles
C(=O)(C(Cc1ccc(F)cc1)c1ccccc1)O
Calculated Properties
JChem
Acid pKa
4.2496924
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.603281
LogD (pH = 7.4)
0.8760172
Log P
3.875055
Molar Refractivity
66.8525
Polarizability
25.607742
Polar Surface Area
37.3
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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