Molecule

ID:94647

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆FNO₄
Molecular Mass
269.2688432
Exact Mass
269.10633622
Charge
0
InChI
InChI=1S/C13H16FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-4-6-9(14)7-5-8/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
IEQBOUSLFRLKKX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1)F)NC(=O)OC(C)(C)C
Isomeric Smiles
Fc1ccc(cc1)C(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.6468787
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.57363886
LogD (pH = 7.4)
-0.9023484
Log P
2.4237533
Molar Refractivity
65.4507
Polarizability
25.413666
Polar Surface Area
75.63
Rotatable Bonds
5
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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