Molecule

ID:58334

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂FNO
Molecular Mass
205.2281832
Exact Mass
205.09029223
Charge
0
InChI
InChI=1S/C12H12FNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2
InChIKey
CVWCZFGLTFWSEK-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(=C1)Nc1ccc(cc1)F
Isomeric Smiles
C1CCC(=CC1=O)Nc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
17.60307
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2362657
LogD (pH = 7.4)
2.2362673
Log P
2.2362673
Molar Refractivity
59.5939
Polarizability
21.276611
Polar Surface Area
29.1
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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