Molecule

ID:7958

General Information
Structure
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Molecular Formula
C₇H₅FO₂
Molecular Mass
140.1118032
Exact Mass
140.02735762
Charge
0
InChI
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey
MXNBDFWNYRNIBH-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)C(=O)O
Isomeric Smiles
c1cc(cc(c1)C(=O)O)F
Calculated Properties
JChem
Acid pKa
3.7577567
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.03052693
LogD (pH = 7.4)
-1.5077434
Log P
1.7735306
Molar Refractivity
33.5306
Polarizability
12.409562
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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