Molecule
ID:41309
General Information
Molecular Formula
C₁₃H₁₀FNO₄
Molecular Mass
263.2212032
Exact Mass
263.05938603
Charge
0
InChI
InChI=1S/C13H10FNO4/c1-2-18-13(17)11-10(7-19-15-11)12(16)8-3-5-9(14)6-4-8/h3-7H,2H2,1H3
InChIKey
FOFGUQZRRHLZGS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nocc1C(=O)c1ccc(cc1)F
Isomeric Smiles
c1(c(noc1)C(=O)OCC)C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
19.481476
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4859815
LogD (pH = 7.4)
2.4859815
Log P
2.4859815
Molar Refractivity
64.6938
Polarizability
24.046227
Polar Surface Area
69.4
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
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Bioactivity
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