Molecule

ID:20418

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO
Molecular Mass
245.2920432
Exact Mass
245.12159236
Charge
0
InChI
InChI=1S/C15H16FNO/c16-14-11-13(17)8-9-15(14)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10,17H2
InChIKey
JIIAFILMYZIRBU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)OCCCc1ccccc1
Isomeric Smiles
c1(cc(N)ccc1OCCCc1ccccc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5709596
LogD (pH = 7.4)
3.586847
Log P
3.5870535
Molar Refractivity
71.4066
Polarizability
26.834784
Polar Surface Area
35.25
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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