Molecule

ID:99090

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₃
Molecular Mass
232.2071632
Exact Mass
232.05357237
Charge
0
InChI
InChI=1S/C13H9FO3/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-8,15H
InChIKey
MHKPYZMVWULMGR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)/C=C/c1ccco1)O
Isomeric Smiles
o1cccc1/C=C/C(=O)c1c(ccc(c1)F)O
Calculated Properties
JChem
Acid pKa
7.9182425
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4380658
LogD (pH = 7.4)
3.3256292
Log P
3.4397085
Molar Refractivity
61.4652
Polarizability
22.5058
Polar Surface Area
50.44
Rotatable Bonds
3
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
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References
Bioactivity
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