Molecule

ID:28534

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈FNO₄
Molecular Mass
237.1839232
Exact Mass
237.04373596
Charge
0
InChI
InChI=1S/C11H8FNO4/c12-7-1-3-8(4-2-7)16-6-9-5-10(11(14)15)13-17-9/h1-5H,6H2,(H,14,15)
InChIKey
CDPLOXPSTMVOIU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCc1onc(c1)C(=O)O
Isomeric Smiles
c1(noc(c1)COc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9037213
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.40862074
LogD (pH = 7.4)
-1.2009354
Log P
2.0107293
Molar Refractivity
55.5539
Polarizability
20.633114
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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