Molecule

ID:52446

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO
Molecular Mass
166.1921432
Exact Mass
166.07939319
Charge
0
InChI
InChI=1S/C10H11FO/c1-8(12)5-6-9-3-2-4-10(11)7-9/h2-4,7H,5-6H2,1H3
InChIKey
IZNPPMHOPRAECP-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CCc1cccc(c1)F
Isomeric Smiles
CC(=O)CCc1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
19.516518
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5278902
LogD (pH = 7.4)
2.5278902
Log P
2.5278902
Molar Refractivity
45.7341
Polarizability
17.420206
Polar Surface Area
17.07
Rotatable Bonds
3
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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