Molecule

ID:97547

General Information
Structure
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
InChIKey
PUNIIEHHUHGISF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccccc1F
Isomeric Smiles
O(c1ccccc1F)C(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7232088
LogD (pH = 7.4)
1.7232088
Log P
1.7232088
Molar Refractivity
37.4068
Polarizability
14.469902
Polar Surface Area
26.3
Rotatable Bonds
2
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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