Molecule

ID:98394

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉FO₃
Molecular Mass
244.2178632
Exact Mass
244.05357237
Charge
0
InChI
InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey
FJAZVXUPZQSZKI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1ccccc1C(=O)O
Isomeric Smiles
O=C(c1ccccc1C(=O)c1ccc(cc1)F)O
Calculated Properties
JChem
Acid pKa
3.4819186
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2238326
LogD (pH = 7.4)
-0.14782318
Log P
3.2328837
Molar Refractivity
64.1061
Polarizability
23.98934
Polar Surface Area
54.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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