Molecule

ID:7632

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO
Molecular Mass
241.2602832
Exact Mass
241.09029223
Charge
0
InChI
InChI=1S/C15H12FNO/c1-11-5-7-12(8-6-11)10-18-15-4-2-3-14(16)13(15)9-17/h2-8H,10H2,1H3
InChIKey
PYDSAKVFHVQAAD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1F)OCc1ccc(cc1)C
Isomeric Smiles
c1cc(ccc1COc1c(c(ccc1)F)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.052267
LogD (pH = 7.4)
4.052267
Log P
4.052267
Molar Refractivity
68.113
Polarizability
25.68194
Polar Surface Area
33.02
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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