Molecule

ID:95957

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₃
Molecular Mass
221.1845232
Exact Mass
221.04882134
Charge
0
InChI
InChI=1S/C11H8FNO3/c1-6-9(11(14)15)10(13-16-6)7-2-4-8(12)5-3-7/h2-5H,1H3,(H,14,15)
InChIKey
PDEGBONVUJDOFN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1noc(c1C(=O)O)C
Isomeric Smiles
n1c(c2ccc(cc2)F)c(c(o1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9216552
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7858358
LogD (pH = 7.4)
-0.83158123
Log P
2.370713
Molar Refractivity
54.8865
Polarizability
21.07538
Polar Surface Area
63.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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