Molecule

ID:26175

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO
Molecular Mass
253.2709832
Exact Mass
253.09029223
Charge
0
InChI
InChI=1S/C16H12FNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2
InChIKey
LOQNMLHIQHBGJV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)Cc1cccc(c1)F
Isomeric Smiles
n1(cc(c2c1cccc2)C=O)Cc1cc(F)ccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8753612
LogD (pH = 7.4)
3.8753612
Log P
3.8753612
Molar Refractivity
73.4542
Polarizability
28.444828
Polar Surface Area
22.0
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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