Molecule

ID:17092

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄FNO₃
Molecular Mass
251.2535632
Exact Mass
251.09577153
Charge
0
InChI
InChI=1S/C13H14FNO3/c14-11-3-1-9(2-4-11)5-6-15-8-10(13(17)18)7-12(15)16/h1-4,10H,5-8H2,(H,17,18)
InChIKey
JEJKVDIMYSYXMU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1)CCc1ccc(cc1)F
Isomeric Smiles
N1(CC(CC1=O)C(=O)O)CCc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
4.030103
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.30204862
LogD (pH = 7.4)
-1.9629953
Log P
1.178555
Molar Refractivity
62.8245
Polarizability
23.962624
Polar Surface Area
57.61
Rotatable Bonds
4
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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