Molecule

ID:7957

General Information
Structure
MolImage
Molecular Formula
C₇H₅FO₂
Molecular Mass
140.1118032
Exact Mass
140.02735762
Charge
0
InChI
InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
BBYDXOIZLAWGSL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)C(=O)O)F
Calculated Properties
JChem
Acid pKa
4.21855
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.47238514
LogD (pH = 7.4)
-1.2472186
Log P
1.7735306
Molar Refractivity
33.5306
Polarizability
12.408872
Polar Surface Area
37.3
Rotatable Bonds
1
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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