Molecule

ID:11942

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15H
InChIKey
HLRVUOFDBXRZBI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)c1ccc(cc1)F
Isomeric Smiles
O=C(c1ccc(cc1)F)c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
7.848926
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2698078
LogD (pH = 7.4)
3.1405847
Log P
3.2717354
Molar Refractivity
58.8308
Polarizability
22.234798
Polar Surface Area
37.3
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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