Molecule

ID:96032

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₂
Molecular Mass
216.2077632
Exact Mass
216.05865775
Charge
0
InChI
InChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChIKey
BGWADTFLQQUACM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)/C=C/c1ccco1
Isomeric Smiles
o1c(ccc1)/C=C/C(=O)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
15.065261
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0932739
LogD (pH = 7.4)
3.0932739
Log P
3.0932739
Molar Refractivity
59.4843
Polarizability
21.86174
Polar Surface Area
30.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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