Molecule

ID:29168

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂FNO
Molecular Mass
287.3717832
Exact Mass
287.16854255
Charge
0
InChI
InChI=1S/C18H22FNO/c1-2-3-6-13-21-16-11-9-15(10-12-16)14-20-18-8-5-4-7-17(18)19/h4-5,7-12,20H,2-3,6,13-14H2,1H3
InChIKey
WIPPRIZMURUHPR-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccc(cc1)CNc1ccccc1F
Isomeric Smiles
N(c1c(F)cccc1)Cc1ccc(cc1)OCCCCC
Calculated Properties
JChem
Acid pKa
16.313826
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9236474
LogD (pH = 7.4)
4.923991
Log P
4.9239955
Molar Refractivity
86.0186
Polarizability
32.436817
Polar Surface Area
21.26
Rotatable Bonds
8
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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