Molecule

ID:16479

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄FNO
Molecular Mass
265.3662632
Exact Mass
265.18419261
Charge
0
InChI
InChI=1S/C16H24FNO/c1-16(2)11-13(8-10-19-16)15(7-9-18)12-3-5-14(17)6-4-12/h3-6,13,15H,7-11,18H2,1-2H3
InChIKey
FBSHSKALOHEBCG-UHFFFAOYSA-N
Canonic Smiles
NCCC(c1ccc(cc1)F)C1CCOC(C1)(C)C
Isomeric Smiles
C1(C(c2ccc(cc2)F)CCN)CC(OCC1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1515441
LogD (pH = 7.4)
0.37672013
Log P
2.8681884
Molar Refractivity
76.4083
Polarizability
29.803036
Polar Surface Area
35.25
Rotatable Bonds
4
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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