Molecule

ID:12372

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
KDXOONIQRUZGSY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)C(=O)O
Isomeric Smiles
c1c(cc(c(c1)C(=O)O)C)F
Calculated Properties
JChem
Acid pKa
4.099721
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.87294316
LogD (pH = 7.4)
-0.8121623
Log P
2.286952
Molar Refractivity
38.5718
Polarizability
14.15498
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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