Molecule

ID:18097

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FO
Molecular Mass
166.1921432
Exact Mass
166.07939319
Charge
0
InChI
InChI=1S/C10H11FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
InChIKey
QHDXPJMOWRLLRV-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)c1ccc(cc1)F
Isomeric Smiles
C(=O)(CCC)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.387363
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8186998
LogD (pH = 7.4)
2.8186998
Log P
2.8186998
Molar Refractivity
45.9051
Polarizability
17.400373
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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