Molecule

ID:114505

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃FN₂O₃
Molecular Mass
276.2630232
Exact Mass
276.09102051
Charge
0
InChI
InChI=1S/C14H13FN2O3/c15-11-5-3-10(4-6-11)12-7-8-13(18)17(16-12)9-1-2-14(19)20/h3-8H,1-2,9H2,(H,19,20)
InChIKey
SVURPXSMEQLKLR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCn1nc(ccc1=O)c1ccc(cc1)F
Isomeric Smiles
n1n(c(=O)ccc1c1ccc(cc1)F)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.9008932
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1250826
LogD (pH = 7.4)
-1.4832122
Log P
1.7299179
Molar Refractivity
71.3555
Polarizability
26.278587
Polar Surface Area
69.97
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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