Molecule

ID:28533

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₄
Molecular Mass
237.1839232
Exact Mass
237.04373596
Charge
0
InChI
InChI=1S/C11H8FNO4/c12-8-3-1-2-4-10(8)16-6-7-5-9(11(14)15)13-17-7/h1-5H,6H2,(H,14,15)
InChIKey
DBBAKPJCJRFCHW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OCc1onc(c1)C(=O)O
Isomeric Smiles
c1(noc(c1)COc1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.903721
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.40862057
LogD (pH = 7.4)
-1.2009355
Log P
2.0107293
Molar Refractivity
55.5539
Polarizability
20.633583
Polar Surface Area
72.56
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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