Molecule

ID:27503

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO₂
Molecular Mass
257.2596832
Exact Mass
257.08520685
Charge
0
InChI
InChI=1S/C15H12FNO2/c1-10(18)11-6-8-12(9-7-11)17-15(19)13-4-2-3-5-14(13)16/h2-9H,1H3,(H,17,19)
InChIKey
FXNNSGIBOCQSHM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1F)Nc1ccc(cc1)C(=O)C
Isomeric Smiles
C(=O)(c1c(F)cccc1)Nc1ccc(C(=O)C)cc1
Calculated Properties
JChem
Acid pKa
10.694399
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7654774
LogD (pH = 7.4)
2.7652707
Log P
2.76548
Molar Refractivity
72.2107
Polarizability
26.33529
Polar Surface Area
46.17
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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