Molecule

ID:36020

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂FNO
Molecular Mass
253.2709832
Exact Mass
253.09029223
Charge
0
InChI
InChI=1S/C16H12FNO/c17-14-6-7-16-15(8-14)13(11-19)10-18(16)9-12-4-2-1-3-5-12/h1-8,10-11H,9H2
InChIKey
FEPHWPUFEZSGMM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(F)cc2)Cc1ccccc1
Isomeric Smiles
c1(ccc2n(cc(c2c1)C=O)Cc1ccccc1)F
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
28.446005
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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