Molecule

ID:38237

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁FN₂O₄
Molecular Mass
290.2465432
Exact Mass
290.07028506
Charge
0
InChI
InChI=1S/C14H11FN2O4/c15-9-3-5-10(6-4-9)16-12(18)8-17-7-1-2-11(13(17)19)14(20)21/h1-7H,8H2,(H,16,18)(H,20,21)
InChIKey
UBENGTYLMSEKTR-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1cccc(c1=O)C(=O)O)Nc1ccc(cc1)F
Isomeric Smiles
c1(c(=O)n(CC(=O)Nc2ccc(F)cc2)ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5434809
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0670673
LogD (pH = 7.4)
-2.479176
Log P
0.8827682
Molar Refractivity
73.5946
Polarizability
26.581963
Polar Surface Area
86.71
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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