Molecule

ID:97252

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂FNO
Molecular Mass
229.2495832
Exact Mass
229.09029223
Charge
0
InChI
InChI=1S/C14H12FNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKey
LGYTXAVKLVORTM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccc(c(n1)C)C(=O)C
Isomeric Smiles
n1c(c(ccc1c1ccc(cc1)F)C(=O)C)C
Calculated Properties
JChem
Acid pKa
15.817874
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5991416
LogD (pH = 7.4)
2.6200948
Log P
2.6203687
Molar Refractivity
63.876
Polarizability
25.530718
Polar Surface Area
29.96
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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