Molecule

ID:98854

General Information
Structure
MolImage
Molecular Formula
C₈H₅FO₂
Molecular Mass
152.1225032
Exact Mass
152.02735762
Charge
0
InChI
InChI=1S/C8H5FO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2
InChIKey
AOFLDWWKVCKMDV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)CO2
Isomeric Smiles
O1c2ccc(cc2C(=O)C1)F
Calculated Properties
JChem
Acid pKa
7.9120255
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2155769
LogD (pH = 7.4)
1.1009634
Log P
1.217253
Molar Refractivity
36.5813
Polarizability
13.750258
Polar Surface Area
26.3
Rotatable Bonds
0
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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