Molecule

ID:38521

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)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
IUFATHQIUYUCFE-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NC(c1ccccc1F)C(=O)O
Isomeric Smiles
c1ccc(c(c1)C(C(=O)O)NC(=O)OC(C)(C)C)F
Calculated Properties
JChem
Acid pKa
3.6459465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5727388
LogD (pH = 7.4)
-0.9026968
Log P
2.4237533
Molar Refractivity
65.4507
Polarizability
25.413477
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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