Molecule

ID:62518

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄FNO₄
Molecular Mass
279.2636632
Exact Mass
279.09068615
Charge
0
InChI
InChI=1S/C14H14FNO4/c1-20-14(19)7-12(17)9-6-13(18)16(8-9)11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3
InChIKey
UBCDHORLUJIIEH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CN(C(=O)C1)c1ccc(cc1)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)CC(=O)OC)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
11.334292
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4244598
LogD (pH = 7.4)
1.42441
Log P
1.1911272
Molar Refractivity
67.8988
Polarizability
26.155874
Polar Surface Area
63.68
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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