Molecule

ID:11049

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄FNO₃
Molecular Mass
287.2856632
Exact Mass
287.09577153
Charge
0
InChI
InChI=1S/C16H14FNO3/c17-13-8-6-11(7-9-13)14(10-15(19)20)18-16(21)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,18,21)(H,19,20)
InChIKey
WLUWCIYANRIZHX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc(cc1)F)NC(=O)c1ccccc1
Isomeric Smiles
C(=O)(NC(CC(=O)O)c1ccc(cc1)F)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.0784693
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.2551894
LogD (pH = 7.4)
-0.4228513
Log P
2.6895003
Molar Refractivity
75.3163
Polarizability
28.486187
Polar Surface Area
66.4
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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