Molecule
ID:96985
General Information
Molecular Formula
C₁₅H₉FO₂
Molecular Mass
240.2291632
Exact Mass
240.05865775
Charge
0
InChI
InChI=1S/C15H9FO2/c16-12-7-6-11-8-13(10-4-2-1-3-5-10)15(17)18-14(11)9-12/h1-9H
InChIKey
VGKAXJDLVHWSIU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)oc(=O)c(c2)c1ccccc1
Isomeric Smiles
o1c2cc(ccc2cc(c1=O)c1ccccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5941494
LogD (pH = 7.4)
3.5941494
Log P
3.5941494
Molar Refractivity
66.2171
Polarizability
25.006432
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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