Molecule

ID:41680

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃FO₂
Molecular Mass
244.2609232
Exact Mass
244.08995788
Charge
0
InChI
InChI=1S/C15H13FO2/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKey
GVLDMYWQSWDCMI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1ccccc1C(=O)C
Isomeric Smiles
c1(C(=O)C)c(OCc2ccc(F)cc2)cccc1
Calculated Properties
JChem
Acid pKa
15.617917
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
25.822485
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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