Molecule
ID:99091
General Information
Molecular Formula
C₁₅H₉FO₂
Molecular Mass
240.2291632
Exact Mass
240.05865775
Charge
0
InChI
InChI=1S/C15H9FO2/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9H
InChIKey
OUYOSBQKQPUNJK-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
Isomeric Smiles
o1c(cc(=O)c2c1ccc(c2)F)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.375413
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.110087
LogD (pH = 7.4)
3.110087
Log P
3.110087
Molar Refractivity
67.1876
Polarizability
24.917988
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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