Molecule

ID:11050

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FNO₄
Molecular Mass
277.2477832
Exact Mass
277.07503609
Charge
0
InChI
InChI=1S/C14H12FNO4/c15-10-5-3-9(4-6-10)11(8-13(17)18)16-14(19)12-2-1-7-20-12/h1-7,11H,8H2,(H,16,19)(H,17,18)
InChIKey
VJPARMNENBJWEO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccc(cc1)F)NC(=O)c1ccco1
Isomeric Smiles
C(=O)(NC(CC(=O)O)c1ccc(cc1)F)c1occc1
Calculated Properties
JChem
Acid pKa
4.198385
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.42953253
LogD (pH = 7.4)
-1.2848082
Log P
1.749747
Molar Refractivity
67.7072
Polarizability
25.471487
Polar Surface Area
79.54
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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