Molecule

ID:9461

General Information
Structure
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c1-2-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey
NSNSIFGTEGKZFK-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)c1ccccc1F
Isomeric Smiles
c1ccc(c(c1)C(=O)CC)F
Calculated Properties
JChem
Acid pKa
15.874596
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3741312
LogD (pH = 7.4)
2.3741312
Log P
2.3741312
Molar Refractivity
41.3041
Polarizability
15.56678
Polar Surface Area
17.07
Rotatable Bonds
2
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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