Molecule

ID:100917

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-5(10)8-6(9)3-2-4-7(8)11/h2-4,11H,1H3
InChIKey
PSNPXFMLAVLPPP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(O)cccc1F
Isomeric Smiles
Oc1cccc(c1C(=O)C)F
Calculated Properties
JChem
Acid pKa
8.351736
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0194242
LogD (pH = 7.4)
1.9744003
Log P
2.02003
Molar Refractivity
38.6581
Polarizability
14.391051
Polar Surface Area
37.3
Rotatable Bonds
1
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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