Molecule

ID:35244

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄FNO₃
Molecular Mass
275.2749632
Exact Mass
275.09577153
Charge
0
InChI
InChI=1S/C15H14FNO3/c1-9-13(10(2)18)7-14(17(9)8-15(19)20)11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H,19,20)
InChIKey
VIASZBWVLWKWSG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1cc(c(n1CC(=O)O)C)C(=O)C
Isomeric Smiles
n1(c(cc(c1C)C(=O)C)c1ccc(cc1)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.009056
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.72113764
LogD (pH = 7.4)
-0.9319259
Log P
2.2219265
Molar Refractivity
72.5807
Polarizability
28.329811
Polar Surface Area
59.3
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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