Molecule

ID:93733

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-12-4-2-1-3-11(12)13(16)9-5-7-10(15)8-6-9/h1-8,15H
InChIKey
FHFDJJWFCDGBEM-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)C(=O)c1ccccc1F
Isomeric Smiles
Oc1ccc(cc1)C(=O)c1ccccc1F
Calculated Properties
JChem
Acid pKa
7.7979407
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2695684
LogD (pH = 7.4)
3.1267529
Log P
3.2717354
Molar Refractivity
58.8308
Polarizability
22.236475
Polar Surface Area
37.3
Rotatable Bonds
2
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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