Molecule

ID:35236

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₄
Molecular Mass
305.3009432
Exact Mass
305.10633622
Charge
0
InChI
InChI=1S/C16H16FNO4/c1-3-22-16(21)13-8-14(11-4-6-12(17)7-5-11)18(10(13)2)9-15(19)20/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKey
LIKHJNIFBWMWCZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(n(c1C)CC(=O)O)c1ccc(cc1)F
Isomeric Smiles
n1(c(c(cc1c1ccc(cc1)F)C(=O)OCC)C)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.9638882
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4803824
LogD (pH = 7.4)
-0.15485115
Log P
3.024564
Molar Refractivity
78.9518
Polarizability
30.878748
Polar Surface Area
68.53
Rotatable Bonds
6
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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