Molecule

ID:67020

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO
Molecular Mass
241.2602832
Exact Mass
241.09029223
Charge
0
InChI
InChI=1S/C15H12FNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2
InChIKey
HQCCOFMBOJBRQY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CC(=O)c2c(N1)cccc2
Isomeric Smiles
N1C(CC(=O)c2ccccc12)c1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
12.175976
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5188997
LogD (pH = 7.4)
3.5189483
Log P
3.5189552
Molar Refractivity
69.2941
Polarizability
25.556395
Polar Surface Area
29.1
Rotatable Bonds
1
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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